smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CS(=O)(=O)N1CCOC[C@@]2(C1)CN(S(=O)(=O)C1CC1)CCO2	96093667	QKOIDPBYTQPTRY-GFCCVEGCSA-N	354.450	-1.159	0	40	FAAB	
COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575425890	IOUOCABXCYGJNA-OLZOCXBDSA-N	364.445	-1.279	0	40	FAAB	
Cn1ccnc1C(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2	2332243256	VUINNEMTIQWDRS-NSHDSACASA-N	366.403	-1.280	0	40	FAAB	
NC1=NC(=O)[C@H]2N=CN([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)[C@H]2N1	16137460	NXAAPTOGYXDNQU-WGWNHBQGSA-N	365.239	-3.975	0	40	FAAB	
Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(c2cncnc2)C(=O)CO3)n1	1565555589	KOBOEEMBWIJURP-MRXNPFEDSA-N	373.373	-1.120	0	40	FAAB	
O=C(CNS(=O)(=O)c1cccc(F)c1)N1CC(N2C(=O)CNC2=O)C1	253471034	AMTRTSGFOMXNHC-UHFFFAOYSA-N	370.362	-1.133	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	4417045	JSZJNSUQMVVBLG-CHWFTXMASA-N	350.349	-3.292	0	40	FAAB	
N=C(N)NCCC[C@H](NC(=O)CNC(=O)CN)C(=O)Nc1ccccc1	4899753	UHCNIPHINRNOFE-LBPRGKRZSA-N	363.422	-1.552	0	40	FAAB	
C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(C(=O)CN2CCOCC2)CC1	25319466	CVTCCOBUHKIPCD-CYBMUJFWSA-N	367.450	-1.161	0	40	FAAB	
Cc1cc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)no1	575616618	TWOAFOMGJJJPCD-UHFFFAOYSA-N	373.435	-0.444	0	40	FAAB	
C[C@@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)C(=O)O	5920585	YMOZUVAVEMAUOG-FUAUIPCOSA-N	368.342	-1.186	0	40	FAAB	
CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CN1C(=O)C(=O)c2ccccc21	4974916	YSNPVVWWGFVZSO-MYZSUADSSA-N	354.359	-2.459	0	40	FAAB	
COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O	44169224	OCTAXAHVUYMHBW-XYFZXANASA-N	355.343	-1.204	0	40	FAAB	biogenic
C[C@]1(O)CC[C@@]2(O)C=CO[C@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	223569344	VSKORLRIJDSSSC-XXPIPLRESA-N	364.347	-3.115	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CCC(=O)O)[C@@H](O)[C@@H]1O	257240418	HTJHQVDUQAYQIO-QEJJIEOJSA-N	364.362	-1.185	0	40	FAAB	
O=C(C1CC1)N(Cc1ccc(F)cn1)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	643588028	SWMOHJWCJVIELP-UYJHQMFVSA-N	370.377	-1.198	0	40	FAAB	
C[C@H](O)C(=O)N[C@H](CCC(=O)O[C@@H](C)C(=O)O)C(=O)O[C@@H](C)C(=O)O	2060999939	WMMPBBFJURQULZ-XSPKLOCKSA-N	363.319	-1.335	0	40	FAAB	
CCS(=O)(=O)C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC	5732472	PZZBGEZJRSVHLO-HXFLIBJXSA-N	350.411	-3.382	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2)[C@H](O)[C@H]1O	105364356	HWELQUBQJDDHEY-ZGNUMKAHSA-N	372.374	-2.612	0	40	FAAB	biogenic
COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC	15251357	QRWNMJBTANFMHA-SUNOKAMTSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
CS(=O)(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O	225500084	DULAMFBWFWBSJQ-OXHZDVMGSA-N	353.404	-1.000	0	40	FAAB	biogenic,in-vitro
CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)c1	261494688	XWZCZWKUGIQPJD-XCTAULSFSA-O	353.351	-1.668	0	40	FAAB	endogenous,world
O=C(N[C@@H]1CO[C@H](Cn2ccc(O)nc2=O)[C@@H](O)[C@H]1O)c1cccs1	1615123856	VXHPIVDAIUKYBR-MNUQUWEESA-N	367.383	-1.070	0	40	FAAB	
C[C@@]1(O)CN(C(=O)CC[C@H](N)C(=O)O)CC[C@H]1n1ccc(O)nc1=O	257253083	JXMWWCWYTFOKDQ-FEUHOPSXSA-N	354.363	-1.335	0	40	FAAB	
CCC[C@H](N)C(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586440	CHTKZEVZRZOPET-AALSBFMBSA-N	362.467	-1.023	0	40	FAAB	
Nc1nccnc1[C@H]1CN(C(=O)CN2CCN(CCO)CC2)CCO1	257327595	XBZOCSDKSMYYFF-CYBMUJFWSA-N	350.423	-1.431	0	40	FAAB	
CC(=O)N1CCN(C(=O)[C@H](C)N)CCCCOC[C@@H](O)[C@H](O)[C@@H](O)C1	643586605	XICUGNMAPSOVFW-SPWCGHHHSA-N	361.439	-2.096	0	40	FAAB	
O=C(O)CCCC(=O)N[C@@H]1C[C@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O	257330206	XNJIOPMFGPCWPC-FCMYFTRRSA-N	359.310	-1.506	0	40	FAAB	
O=C1NC(=O)C(C(c2ccccc2O)C2C(=O)NC(=O)NC2=O)C(=O)N1	2274880	QNEQYVQWXBTOLG-UHFFFAOYSA-N	360.282	-1.560	0	40	FAAB	
NC(=O)CNC(=O)C1=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1	3838758	AAXAKLISUMJJGA-YRGRVCCFSA-N	354.407	-1.360	0	40	FAAB	biogenic,in-vitro
O=S1(=O)C[C@@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)[C@@H](O)C1	20812972	XEZHKJKLCWAOKY-WYUUTHIRSA-N	354.450	-3.080	0	40	FAAB	
CC(=O)N1CCC(N2C[C@@H](O)[C@](O)(CNC(=O)c3c[nH]cn3)C2)CC1	257340224	ZFDCVJQWNWWBLS-ZBFHGGJFSA-N	351.407	-1.442	0	40	FAAB	
CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	33821396	ZQPVHVKWCGZNDW-OGVZYCONSA-N	356.324	-4.743	0	40	FAAB	in-vitro
CC(=O)Nc1ccc(C(=O)O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	503990732	UMTXIFPCUCHZHQ-BJIWRROBSA-N	355.299	-1.306	0	40	FAAB	
CN(C1CCN(C(=O)CN2CCCC2=O)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	585287671	ADAQTHOUQVMAJU-CPUCHLNUSA-N	355.435	-1.348	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	2038827	QQOBRRFOVWGIMD-BQUFFADESA-N	371.302	-1.745	0	40	FAAB	biogenic
Nc1ncnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	8918576	MRRXXEGKMDBWFH-QYVSTXNMSA-N	352.351	-2.143	0	40	FAAB	biogenic
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1=O	225383165	IQRUXFKJCKCFBF-KGLIPLIRSA-N	374.397	-1.387	0	40	FAAB	biogenic,in-vitro
CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1	261494687	XWZCZWKUGIQPJD-OZLASXLYSA-O	353.351	-1.668	0	40	FAAB	endogenous,world
CN(C)C(=O)CN1[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]2OCCS1(=O)=O	1534646982	ZYBPDFHAXRZLIO-KGLIPLIRSA-N	371.463	-1.277	0	40	FAAB	
CS(=O)(=O)NCC(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1	19573191	CMOVBXCOSRJWEA-UHFFFAOYSA-N	355.420	-1.253	0	40	FAAB	
Nc1ncn(C[C@H](O)CN2CCOCC2)c2nc(N3CCOCC3)nc1-2	20170580	IXOJUHLTQOUAHU-GFCCVEGCSA-N	363.422	-1.110	0	40	FAAB	
Cn1cnc(CN2C[C@H](O)[C@@H](n3cnc4c(=O)n(C)c(=O)n(C)c43)C2)c1	1615154801	IHFJXNFGCRDUNR-RYUDHWBXSA-N	359.390	-1.415	0	40	FAAB	
NC1=NC(=O)[C@@H]2N=CN([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)[C@@H]2N1	16137455	NXAAPTOGYXDNQU-LEISLEKSSA-N	365.239	-3.975	0	40	FAAB	
NC(=O)C(Sc1nc2ccccc2n1C(C(N)=O)C(N)=O)C(N)=O	16545213	OAWARIGBPNHCJY-UHFFFAOYSA-N	350.360	-2.021	0	40	FAAB	
O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCNCC1	19367588	IQJMUBVOUOHXRP-UHFFFAOYSA-N	360.288	-1.946	0	40	FAAB	
COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	4305768	OCTAXAHVUYMHBW-YTBGYOSVSA-N	355.343	-1.204	0	40	FAAB	
CSc1nc2c(nnn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5760131	SSFGJCYOSGSJLI-QYPVHALMSA-N	359.364	-2.781	0	40	FAAB	
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	4556680	JYTUSYBCFIZPBE-ZKZGSUHDSA-N	358.296	-5.669	0	40	FAAB	
O=S1(=O)C[C@@H](N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)[C@@H](O)C1	22937509	XEZHKJKLCWAOKY-USZNOCQGSA-N	354.450	-3.080	0	40	FAAB	
CS(=O)(=O)NCCNC(=O)CNC1=NS(=O)(=O)c2ccccc21	29678108	GVJBWQCOYPIDKM-UHFFFAOYSA-N	360.417	-1.610	0	40	FAAB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O	100643702	FVWBNLDRURMYGI-IKDJVSEQSA-N	356.334	-1.137	0	40	FAAB	
Cn1cc(S(=O)(=O)N[C@H]2Cc3ccccc3NC2=O)c(=O)n(C)c1=O	528542411	NTPYTUIZONFOQK-NSHDSACASA-N	364.383	-1.074	0	40	FAAB	
O=C(C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O)N1CCOCC1	8627193	PUUGWKWDKORYQB-HDEZJCGLSA-N	351.403	-1.091	0	40	FAAB	biogenic,in-vitro
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	3984112	UONWPCCRGXTMPY-LIBKGXAOSA-N	365.390	-1.033	0	40	FAAB	
C[C@H](O)CSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	145953600	QZGTWORENDJZMJ-YIZRAAEISA-N	365.408	-2.022	0	40	FAAB	in-vitro
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C	5760754	IETAPPVDKJBWJC-BDYQZXKHSA-N	367.811	-1.633	0	40	FAAB	
CCCCn1c(N2CCN(CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	56952415	OEIBRNNBKFYJCB-UHFFFAOYSA-N	363.422	-1.169	0	40	FAAB	
CS(=O)(=O)C(C1=Nc2n[nH]c(=N)n2C1=O)C1=Nc2n[nH]c(=N)n2C1=O	104247811	FVEVBOKZCLAIGB-UHFFFAOYSA-N	364.307	-2.739	0	40	FAAB	
O=C1NCC[C@@H]2[C@@H]1N=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	245380104	RKWIRJQBGMGUNJ-ITTXBHIMSA-N	354.407	-2.160	0	40	FAAB	
COC(=O)C[C@H](NCCCN[C@@H](CC(=O)OC)C(=O)OC)C(=O)OC	12403763	GABDBYKEISNXIB-QWRGUYRKSA-N	362.379	-1.235	0	40	FAAB	in-vitro
O=c1cc(I)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35259676	CUJFLFNXVSOBKJ-YXZULKJRSA-N	370.099	-2.247	0	40	FAAB	
O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCNCC3)[C@@H](O)[C@H]2O1)N1CCOCC1	225514412	IVYNAOOJPUDXJV-GRLWTPEZSA-N	369.462	-1.137	0	40	FAAB	biogenic,in-vitro
CN1N=C(O)C(=O)N[C@@H]1SCC1=C(C(=O)O)[C@@H]2C(=O)[C@H](N)[C@@H]2SC1	245224554	YQOXEBPMLKJSDG-HQSAUTQVSA-N	372.428	-1.041	0	40	FAAB	
Cn1c(=O)c2c(ncn2Cc2nc(N)nc(N3CCOCC3)n2)n(C)c1=O	717443	GNXGSMULHTZJIK-UHFFFAOYSA-N	373.377	-1.914	0	40	FAAB	
NS(=O)(=O)c1ccc(N[C@@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	37246050	GBKRMXPMCRWBET-KQSJRHEJSA-N	350.349	-3.134	0	40	FAAB	
CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1	72938073	GHVZNYQUUUMGEV-LLVKDONJSA-N	369.447	-1.057	0	40	FAAB	
O=C(O)CCCC(=O)N[C@@H]1C[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O	257225698	FHJHASMBBHCZAQ-BCWBERDBSA-N	365.346	-1.062	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O	1784491	CRSFLLTWRCYNNX-WNQTUKNSSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
COC(=O)c1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342014	OCTAXAHVUYMHBW-JHZZJYKESA-N	355.343	-1.204	0	40	FAAB	
COCCN1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1	22929444	ANDSUCGQAJJMGG-UHFFFAOYSA-N	351.407	-1.100	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)CC[C@@H](NC(=O)CCC(=O)O)[C@H]1O	257248657	JEQWDNLACUFAAL-PTYMLPSESA-N	364.362	-1.185	0	40	FAAB	
CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H](O3)[C@H]2S1(=O)=O	1565556355	RWLUTJGIKOCIGW-JARUQAPTSA-N	373.475	-1.176	0	40	FAAB	
COC(=O)[C@H]1C([C@@H](O)OC)[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	5675283	NKPXXQQNLMLDTI-RKTZVYSMSA-N	362.331	-1.262	0	40	FAAB	
O=C1[C@@H]2[C@@H](C(=O)N1CCO)[C@@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(CCO)C(=O)[C@@H]3[C@H]12	101847897	NNCBLLLMELTIGX-JWIYZAFHSA-N	360.366	-1.765	0	40	FAAB	
C[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O	256001329	SHKGHIFSEAGTNL-MVWJERBFSA-N	354.411	-1.517	0	40	FAAB	
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5390314	PCAZZGMLVCFODV-YJMZUNRSSA-N	350.291	-2.845	0	40	FAAB	
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCO)C1	31809750	DDWRYDDPRDHOFV-VIFPVBQESA-N	360.392	-2.119	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	5723173	OXTYJSXVUGJSGM-DUWABBFASA-N	353.335	-1.674	0	40	FAAB	
CN(C)c1nc(N)nc(COC(=O)c2cc(S(N)(=O)=O)cn2C)n1	9316014	YHOIJOXKMXDDHV-UHFFFAOYSA-N	355.380	-1.137	0	40	FAAB	
Cc1c([C@H]2Cc3c(c(=O)n(C)c(=O)n3C)[C@H](O)O2)c(=O)n(C)c(=O)n1C	12296953	GEITXJAJGBWDNT-YMTOWFKASA-N	364.358	-1.905	0	40	FAAB	biogenic
CC(=O)N1CCN(C(=O)c2cnccn2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1	15709545	YYUDAYORISRAJI-JSGCOSHPSA-N	374.401	-1.456	0	40	FAAB	biogenic,in-vitro
Nc1nc(O)c2nc(N3CCCC3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	408723371	TXVWMZVTUGZJQK-WOUKDFQISA-N	352.351	-1.674	0	40	FAAB	
C[C@H](CO)SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	504173140	QFCICQXODPSLQK-HLTSFMKQSA-N	365.408	-2.022	0	40	FAAB	
CS(=O)(=O)CCC(=O)N1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1	1565545643	MCYWOIAJYZPVOM-QWRGUYRKSA-N	354.450	-1.318	0	40	FAAB	
CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CNS(C)(=O)=O	257335204	YJCQCACVBVNMKF-CQSZACIVSA-N	357.436	-1.185	0	40	FAAB	
O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1)NC1CC1	604381827	QKDKGIJKNPVIPM-HGYYMRRCSA-N	369.418	-1.017	0	40	FAAB	biogenic,in-vitro
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	257345366	YSIMTGNFODFMMA-VGNVYZASSA-N	350.224	-3.261	0	40	FAAB	
Nc1nc2c(nc(N3CCNCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	1773089	RLUMDLMWJCRUQP-UKHPNBTGSA-N	367.366	-3.277	0	40	FAAB	
CSCC(=O)N1CC[C@H](NC(=O)NC(C)C)[C@H]1C(=O)N(C)CC(N)=O	3839107	MRYLUKNBRYQFEM-GWCFXTLKSA-N	373.479	-1.030	0	40	FAAB	biogenic,in-vitro
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O	100643699	FVWBNLDRURMYGI-LTYVTYNOSA-N	356.334	-1.137	0	40	FAAB	
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	247824570	FHNIYFZSHCGBPP-UORQIPQESA-N	356.324	-4.743	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C(N)=O	32770738	AXYBPWRBBBSQGS-UHFFFAOYSA-N	364.449	-1.174	0	40	FAAB	
CC(=O)Nc1ccc(NC(C)=O)c(N[C@@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)c1	12652494	FSQKTXGKIAMOHZ-UYJHQMFVSA-N	369.374	-1.185	0	40	FAAB	biogenic
CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]2O)c1	261494686	XWZCZWKUGIQPJD-NBDGVFSVSA-O	353.351	-1.668	0	40	FAAB	endogenous,world
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C	5760750	IETAPPVDKJBWJC-BCROTXFESA-N	367.811	-1.633	0	40	FAAB	
Cn1c(=O)c2c(ncn2CC(=O)NCc2nnc3ccccn23)n(C)c1=O	9466384	NNLOFVGOZCSRBL-UHFFFAOYSA-N	368.357	-1.207	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccncc3C2=O)CC1	20729067	NDFPFNGVIQLJFG-UHFFFAOYSA-N	352.372	-1.219	0	40	FAAB	
COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575425892	IOUOCABXCYGJNA-STQMWFEESA-N	364.445	-1.279	0	40	FAAB	
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2OP(=O)(O)O)c(=O)[nH]1	79405430	WTIFIAZWCCBCGE-GFRUICAKSA-N	363.223	-2.570	0	40	FAAB	biogenic,in-vitro
COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C	5760553	UYULNUFAZCMNPW-AIKLKQDHSA-N	366.168	-1.598	0	40	FAAB	
O=C1NC=N[C@@H]2[C@H]1N=CN2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	35112854	YSIMTGNFODFMMA-ZOMMQBAUSA-N	350.224	-3.261	0	40	FAAB	
CCOC(=O)NCCNCCNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1	217361228	APGXBAHXCWXHTQ-SNVBAGLBSA-N	357.454	-1.571	0	40	FAAB	
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1	245377380	KIJMKINONVYUTA-GRYCIOLGSA-N	356.423	-1.591	0	40	FAAB	
CN(C)S(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccon2)CC1	585148429	FZLHIPAEOGDLPQ-UHFFFAOYSA-N	359.408	-0.752	0	40	FAAB	
O=C(O)CN1C(=O)N[C@H]2O[C@@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@@H]21	102754518	JXEBQWMUDMAGTM-WHSUVHHGSA-N	374.262	-2.744	0	40	FAAB	
COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	4042950	DHSJSCKOXMSVNH-OXGONZEZSA-N	355.343	-1.170	0	40	FAAB	biogenic
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc1SCc1ccccc1	5386656	IKEYLHWZCCHPGE-ICUOPCATSA-N	367.383	-1.165	0	40	FAAB	
O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(C[C@H](O)Cn2cccn2)CC1	51502341	KBXUOMPSLZRESW-KGLIPLIRSA-N	356.448	-1.177	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)cc1I	608377	IPVFGAYTKQKGBM-GCJQMDKQSA-N	372.090	-1.270	0	40	FAAB	
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1O	80452830	GIUYCYHIANZCFB-FTWQFJAYSA-N	365.214	-1.724	0	40	FAAB	biogenic,in-vitro
Cn1cnnc1SC(C(=O)N1CCOCC1)C(=O)N1CCOCC1	16382665	KOXJGVUHFYYTIC-UHFFFAOYSA-N	355.420	-1.007	0	40	FAAB	
CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]2C1	1614929594	KUVITZWGWXDISI-CHWSQXEVSA-N	355.416	-1.033	0	40	FAAB	
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cnc2c1c(=O)n(C)c(=O)n2C	18816487	PAAGVSDAXYKABU-RKDXNWHRSA-N	369.403	-1.702	0	40	FAAB	
COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1529221	QJVXKWHHAMZTBY-XJCAQJOTSA-N	372.370	-1.112	0	40	FAAB	biogenic
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O	16215132	CRSFLLTWRCYNNX-JKJABPJXSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
Nc1nc2c(nc(N3CCNCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	6150381	RLUMDLMWJCRUQP-CIPNSKCISA-N	367.366	-3.277	0	40	FAAB	
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H]1[C@H](O)OC	257345350	NKPXXQQNLMLDTI-QHAQEBJBSA-N	362.331	-1.262	0	40	FAAB	
Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	4256214	BNDIZWMKIIMLTJ-YLJFRXORSA-N	368.350	-2.850	0	40	FAAB	
COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	95803346	QJVXKWHHAMZTBY-UPXUFXRWSA-N	372.370	-1.112	0	40	FAAB	
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	3984113	UONWPCCRGXTMPY-XDYICZGBSA-N	365.390	-1.033	0	40	FAAB	
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	25628216	XXAUOPDVAKGRPR-SOYHJAILSA-N	373.410	-2.563	0	40	FAAB	
CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CNS(C)(=O)=O	257335203	YJCQCACVBVNMKF-AWEZNQCLSA-N	357.436	-1.185	0	40	FAAB	
CS(=O)(=O)c1ccc(CN2C[C@@H]3OCC(=O)N(CC(N)=O)[C@@H]3C2)cc1	67897709	FMJPONCSWFMJHG-KGLIPLIRSA-N	367.427	-1.013	0	40	FAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I	4897032	RKSLVDIXBGWPIS-LENIQADQSA-N	370.099	-2.247	0	40	FAAB	
CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1	72938075	GHVZNYQUUUMGEV-NSHDSACASA-N	369.447	-1.057	0	40	FAAB	
CC(=O)O[C@@H]1CO[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	35882820	RWXMBOHMNHIISC-OJAKKHQRSA-N	371.302	-1.745	0	40	FAAB	
CNC(=O)[C@@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)CN1CC1CC1	247985242	YRCUXZHBZOTZIO-LBPRGKRZSA-N	359.448	-1.531	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	95829741	AUFUWRKPQLGTGF-YXCITZCRSA-N	370.314	-1.140	0	40	FAAB	in-vitro
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I	5223557	XQFRJNBWHJMXHO-XVMARJQXSA-N	354.100	-1.218	0	40	FAAB	biogenic,in-man
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	5723174	OXTYJSXVUGJSGM-VPFIQFBESA-N	353.335	-1.674	0	40	FAAB	
C[C@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)c1)C(=O)O	248321146	TZHYWXAHKUAKIC-RJVLYZLMSA-N	368.342	-1.186	0	40	FAAB	
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	35112848	YSIMTGNFODFMMA-YKJCMVHCSA-N	350.224	-3.261	0	40	FAAB	
CN(C)C(=O)CN1[C@@H]2CN(C3CCOCC3)C[C@@H]2OCCS1(=O)=O	1534645774	BNONERTVWDZEGE-KGLIPLIRSA-N	361.464	-1.032	0	40	FAAB	
O=C(Cc1ccccc1)N1CC[C@](O)(CN(CCO)CCO)[C@@H](O)C1	585290752	WPRIALHMWJCSOU-WMZOPIPTSA-N	352.431	-1.160	0	40	FAAB	
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5390312	PCAZZGMLVCFODV-YWARTMNGSA-N	350.291	-2.845	0	40	FAAB	
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O	77303041	WOKXHOIRHHAHDA-FCSQJVOZSA-N	356.324	-4.743	0	40	FAAB	in-vitro
COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575425529	FUUFMUHZTYAVJA-CHWSQXEVSA-N	365.429	-1.164	0	40	FAAB	
CC(=O)Nc1ccc(NC(C)=O)c(N[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)c1	12652500	FSQKTXGKIAMOHZ-GCSSGZNBSA-N	369.374	-1.185	0	40	FAAB	biogenic
O=C1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2[nH]c(N3CCCCC3)nc21	253562803	DSLPRQCDUZWKAY-JMLLCIOISA-N	353.379	-1.654	0	40	FAAB	
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O	1555157	GIUYCYHIANZCFB-HJGQOHIQSA-N	365.214	-1.724	0	40	FAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	36378883	FHNIYFZSHCGBPP-KQXBOJKLSA-N	356.324	-4.743	0	40	FAAB	
COC(=O)CN1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1	22930932	GVUHOXBABCWZIV-UHFFFAOYSA-N	353.379	-2.361	0	40	FAAB	
CN(CC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	575421263	HOEFLSBKZNVTFB-VXGBXAGGSA-N	352.478	-1.207	0	40	FAAB	
COCCn1c(C(=O)NC[C@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21	11835595	PHYGZNQTNQYIRJ-VIFPVBQESA-N	354.363	-2.232	0	40	FAAB	
C[C@H](O)[C@H](N1CCN([C@@H]([C@@H](C)O)S(=O)(=O)O)CC1)S(=O)(=O)O	113186127	KGOOEFUPVFKRHJ-UTINFBMNSA-N	362.426	-2.207	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)nc1SCc1ccccc1	5386655	IKEYLHWZCCHPGE-OXIWPEFWSA-N	367.383	-1.165	0	40	FAAB	
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	247824565	FHNIYFZSHCGBPP-PQYGKLNMSA-N	356.324	-4.743	0	40	FAAB	
Cn1cc(C(=O)N2CC3(C2)CS(=O)(=O)[C@@H](Cn2cncn2)CO3)cn1	2332243045	FCDGJBNGSIOOIQ-LBPRGKRZSA-N	366.403	-1.280	0	40	FAAB	
CC[C@@H](C)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	12604281	PUIRQQQJMGMJBM-SECBINFHSA-N	351.363	-1.108	0	40	FAAB	
O=C(CNC(=O)c1ccccc1)NCC(=O)N[C@@H]1CCS(=O)(=O)C1	52996931	ODEJEEUKDRCPKO-GFCCVEGCSA-N	353.400	-1.164	0	40	FAAB	
C[C@@]1(O)CN(CC(=O)N2CCOCC2)CC[C@H]1n1ccc(O)nc1=O	257218530	DDLZMPBCIJLEAQ-MLGOLLRUSA-N	352.391	-1.195	0	40	FAAB	
NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	13523533	XNSAINXGIQZQOO-SDDRHHMPSA-N	362.390	-1.808	0	40	FAAB	in-man
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	5544944	APLBJDOFALUWBA-DALOQIEPSA-N	353.784	-1.643	0	40	FAAB	
O=C(CCCN1C(=O)CNC1=O)N1CC[C@](O)(CN2CCOCC2)C1	257237369	HGECEMNOKLRUBF-INIZCTEOSA-N	354.407	-1.386	0	40	FAAB	
C[C@]1(O)CC[C@@]2(O)C=CO[C@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	223569285	VSKORLRIJDSSSC-LYOSWPPHSA-N	364.347	-3.115	0	40	FAAB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)O	15721443	CAPIMPNNGSBUKU-QMMMGPOBSA-N	360.367	-1.667	0	40	FAAB	
Cc1cn(C[C@]2(O)CC[C@H](N(C)C(=O)CCN)C[C@H]2O)c(=O)nc1O	257228064	FSDLMNYIZMWDPH-HWWQOWPSSA-N	354.407	-1.291	0	40	FAAB	
CC(=O)[C@H](O)[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O	116166456	XLVFYWQZEYSISB-FUZZQYOASA-N	370.318	-3.292	0	40	FAAB	
O=C1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2[nH]c(N3CCCCC3)nc21	253562804	DSLPRQCDUZWKAY-RTOGKPCTSA-N	353.379	-1.654	0	40	FAAB	
O=C(NCCO)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1	3016130	RAJHZXKEQVIRNO-CYBMUJFWSA-N	371.415	-1.352	0	40	FAAB	
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)O)CC1	71404957	BATRHFPEJHETTP-MNOVXSKESA-N	360.454	-2.742	0	40	FAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](OP(=O)(O)O)[C@@H]2O)c(=O)[nH]1	1530370	ZDPUTNZENXVHJC-GIMIYPNGSA-N	363.223	-2.570	0	40	FAAB	
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	3830851	GIUYCYHIANZCFB-FULWYAMNSA-N	365.214	-1.724	0	40	FAAB	
COC(=O)/C=c1\sc2n(c1=O)CN(CCCN1CCOCC1)CN=2	12407199	RMRXEZGLFYCLMO-XFXZXTDPSA-N	354.432	-1.564	0	40	FAAB	
COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC	253532278	QRWNMJBTANFMHA-DJUFWWRVSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]([C@H](CO)C(=O)O)CC1	49601641	IVUFRBWVXKXZMM-HBUYGEAMSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
O=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	217392676	GONLWBBZUWFJPE-RYUDHWBXSA-N	352.434	-1.723	0	40	FAAB	
CNC(=O)[C@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)CN1CC1CC1	247985237	YRCUXZHBZOTZIO-GFCCVEGCSA-N	359.448	-1.531	0	40	FAAB	
O=C(O)/C(O)=C(/O)[C@H](O[C]1O[C@H](CO)C(O)=C(O)[C@H]1O)[C@H](O)CO	1560404585	KYVGTQNWXKMGHZ-DDDJMOSVSA-N	353.256	-2.294	0	40	FAAB	
Cn1c(N)c(C(=O)CN2CCCN(S(C)(=O)=O)CC2)c(=O)n(C)c1=O	12927123	RWOYVNVHUDPSOZ-UHFFFAOYSA-N	373.435	-2.184	0	40	FAAB	
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)O)CC1	71404963	BATRHFPEJHETTP-WDEREUQCSA-N	360.454	-2.742	0	40	FAAB	
O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1	77285160	BSOMSDFTZKNUHY-ZYZFHZPYSA-N	356.283	-1.239	0	40	FAAB	endogenous,in-man
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	3958672	NCELYEUIJBVZHF-UEEUQYHESA-N	373.347	-2.510	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	36596709	BDPVKQAEONBPSN-OEINEHKASA-N	352.351	-2.859	0	40	FAAB	
O=CN1CCN(C[C@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1	72406231	PLZCKDYFOOUFIL-CVEARBPZSA-N	374.507	-2.074	0	40	FAAB	
Cn1cnc(C(=O)N2CCN3CCn4c(C(=O)NC5CC5)nnc4[C@H]3C2)n1	1614931689	LQSDFSLYDUYZDS-LLVKDONJSA-N	371.405	-1.189	0	40	FAAB	
O=C(O)CN1C(=O)N[C@H]2O[C@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@H]21	5908811	JXEBQWMUDMAGTM-AFNXEJLXSA-N	374.262	-2.744	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31167087	RVWWDDKOKZXKCJ-ZOLYHUHESA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
O=C1CN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CCN1	585290605	DLIAPATYHMTCGG-HIFRSBDPSA-N	355.416	-1.785	0	40	FAAB	
O=C1C[C@@H](C(=O)O)NC(=O)c2ccccc2OCCNC(=O)[C@H](CO)N1	643560611	WPGQHAFSCRFYEE-QWRGUYRKSA-N	365.342	-1.755	0	40	FAAB	
CO[C@@H]1O[C@H](Nc2nc(SC)[nH]c(=O)c2C(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	5544787	LFKCKUHWAUHWEJ-HSGHIRBMSA-N	361.376	-1.482	0	40	FAAB	
CC(=O)NCCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cccn1)CO2	2332243240	UUPDJACJZWLDQS-ZDUSSCGKSA-N	370.431	-1.196	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@@H]2CCN(CC(N)=O)C[C@@]2(C)O)n(C)c1=O	257210626	BVMJWRQNQNSKEM-RFAUZJTJSA-N	350.379	-2.083	0	40	FAAB	
Nc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CCCC(=O)O)[C@@H](O)[C@H]1O	257319117	VQVWPMHQELIAIQ-BCWBERDBSA-N	364.362	-1.185	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	3958674	NCELYEUIJBVZHF-FTCMTTLMSA-N	373.347	-2.510	0	40	FAAB	
NS(=O)(=O)c1ccc(N[C@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	25665824	GBKRMXPMCRWBET-MTVMDMGHSA-N	350.349	-3.134	0	40	FAAB	
CCN(C)C[C@H]1COC2(CN(C(=O)CCNC(C)=O)C2)CS1(=O)=O	2332243128	KYRRSIMTYZEIGB-ZDUSSCGKSA-N	361.464	-1.141	0	40	FAAB	
O=CN1CCN(C[C@@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1	72406229	PLZCKDYFOOUFIL-HZPDHXFCSA-N	374.507	-2.074	0	40	FAAB	
C[C@@]1(O)CCN(CC(=O)N2CCOCC2)C[C@H]1n1ccc(O)nc1=O	257236522	HCOPHRVLLDXSRE-MLGOLLRUSA-N	352.391	-1.195	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1I	17779640	XQFRJNBWHJMXHO-LYFYHCNISA-N	354.100	-1.218	0	40	FAAB	in-man
C[C@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1)C(=O)O	221885003	YMOZUVAVEMAUOG-ZTCHHREXSA-N	368.342	-1.186	0	40	FAAB	
CC(C)O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O	514287882	WAZVVEWWTPKVME-ASYYIYNTSA-N	366.363	-1.622	0	40	FAAB	biogenic,in-vitro
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]([C@H](CO)C(=O)O)CC1	253532176	IVUFRBWVXKXZMM-JNLQHCKLSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3830848	GIUYCYHIANZCFB-PXMDKTAGSA-N	365.214	-1.724	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2)[C@H](O)[C@@H]1O	15885487	HWELQUBQJDDHEY-UZELPKDVSA-N	372.374	-2.612	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	2150998	BDPVKQAEONBPSN-QYVSTXNMSA-N	352.351	-2.859	0	40	FAAB	biogenic
Cn1cc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)c(=O)n(C)c1=O	21700002	XMPZIQMFHFRGHK-NSHDSACASA-N	361.420	-1.052	0	40	FAAB	
Cn1nnnc1SCC(=O)NCCN1CCN(S(C)(=O)=O)CC1	44226499	DVXULWUSUAFOJU-UHFFFAOYSA-N	363.469	-2.004	0	40	FAAB	
O=C(COCCO)NCCCC[C@@H](NC(=O)COCCO)C(=O)O	247380851	JETMSGOBDXKGRH-LLVKDONJSA-N	350.368	-2.140	0	40	FAAB	
CC(=O)O[C@@H]1[C@@H](n2ncc(=O)[nH]c2=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O	12660923	RWXMBOHMNHIISC-XEZLXBQYSA-N	371.302	-1.745	0	40	FAAB	biogenic
CC(=O)N1CCN(c2c(NC[C@@H](O)CN3CCOCC3)c(=O)c2=O)CC1	101703964	ZRVWTTPNVCSXAP-CYBMUJFWSA-N	366.418	-1.944	0	40	FAAB	
COCCn1c(C(=O)NC[C@@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21	11835594	PHYGZNQTNQYIRJ-SECBINFHSA-N	354.363	-2.232	0	40	FAAB	
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(C)(=O)=O)CC1	14121137	FREGOQQHHGFLIL-MNOVXSKESA-N	353.466	-1.745	0	40	FAAB	
CCN(CC)S(=O)(=O)c1c(N)[nH]c2c(c1=O)c(=O)n(C)c(=O)n2C	22022860	JRPFHDNVSKJGDY-UHFFFAOYSA-N	357.392	-1.462	0	40	FAAB	
Cc1ncn(CC(=O)NCCn2nc(-n3cncn3)ccc2=O)c(=O)c1C	96097957	XZEZSKFTLSBGQL-UHFFFAOYSA-N	370.373	-1.186	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@@H]2CCN(C(=O)CN)C[C@@]2(C)O)n(C)c1=O	257262215	LKPPIGAQPZNOGB-RFAUZJTJSA-N	350.379	-2.083	0	40	FAAB	
C[C@@]1(O)C[C@H](O)CN(C(=O)CCN)C[C@H]1n1cnc2c(N)nc(N)nc21	257291381	QGSGMMFEGFWVTE-IQMYEBEASA-N	364.410	-1.775	0	40	FAAB	
Nc1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)[nH]c(=O)[nH]c1=O	3434395	BCIDDZGYKUMWOP-UHFFFAOYSA-N	362.298	-1.153	0	40	FAAB	
CO[C@@H]1O[C@@H](Nc2nc(SC)[nH]c(=O)c2C(C)=O)[C@H](O)[C@H](O)[C@@H]1O	5544784	LFKCKUHWAUHWEJ-AMSLCBNBSA-N	361.376	-1.482	0	40	FAAB	
CCOC(=O)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	28670741	KPJZJQDMAOIMCO-UHFFFAOYSA-N	367.318	-1.750	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	33492104	WOKJFELXLJKULR-JHZZJYKESA-N	355.343	-1.204	0	40	FAAB	
O=C(c1cccnn1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	1615149878	ACNSJFKEUJNUDD-ZJIFWQFVSA-N	369.418	-1.047	0	40	FAAB	
CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@H]4CCOC4)C[C@@H](O3)[C@@H]2S1(=O)=O	1565556358	RWLUTJGIKOCIGW-NJVJYBDUSA-N	373.475	-1.176	0	40	FAAB	
COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238741190	SGTCGCCQZOUMJJ-HVQZGBDUSA-N	354.311	-1.020	0	40	FAAB	
CCn1c(N2CCN(CC(=O)OC)CC2)nc2c1c(=O)[nH]c(=O)n2C	35877391	WZGIVMFVQFUNFR-UHFFFAOYSA-N	350.379	-1.262	0	40	FAAB	
COCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	1838637	ICMCZXUVRLIIEU-UHFFFAOYSA-N	350.379	-1.229	0	40	FAAB	biogenic
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]([C@@H](CO)C(=O)O)CC1	253532177	IVUFRBWVXKXZMM-JVZJHLHDSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OCc1ccccc1	5811005	ACWJNEMMZVDODA-JLNYLFASSA-N	350.327	-1.273	0	40	FAAB	
CCOC(=O)c1ccccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	77311456	MCMQAADVCDNUCU-RPHNGCRZSA-N	370.310	-1.088	0	40	FAAB	in-vitro
CCOC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	15330957	WNBQVCLUADGUQQ-UHFFFAOYSA-N	374.419	-1.017	0	40	FAAB	
C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	34136684	XUWSHXDEJOOIND-AWJOYZDYSA-N	364.347	-3.464	0	40	FAAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@@H]2O)c(=O)[nH]1	3872743	ZDPUTNZENXVHJC-BZKDHIKHSA-N	363.223	-2.570	0	40	FAAB	
CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1	4256764	KIJMKINONVYUTA-QJPTWQEYSA-N	356.423	-1.591	0	40	FAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19323243	AQRKTEPLGLVFHX-FHIZKKCKSA-N	358.435	-2.245	0	40	FAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760815	HMUIGLOADKXFNT-OKZKDYFGSA-N	361.376	-2.474	0	40	FAAB	
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1	257281824	ORECDJKXWUTVKZ-VXGBXAGGSA-N	358.372	-1.116	0	40	FAAB	
COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc(C)nc(N)n2)C1	257316278	VEXNAKSYLMHEJD-OAHLLOKOSA-N	353.379	-1.667	0	40	FAAB	
CC(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCNC(=O)C2)N1S(C)(=O)=O	257266083	MBLSWATYZVPNMC-NEPJUHHUSA-N	360.436	-1.736	0	40	FAAB	
Nc1c2ncn([C@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	5606512	MMCWKNMZNVBUAG-HUEBKHCJSA-N	363.223	-2.625	0	40	FAAB	
CCOc1ncccc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257319555	VSZXOXMYTZOIGH-RISCZKNCSA-N	359.404	-1.423	0	40	FAAB	
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5812916	FMYIGYIGNUAPIW-JJMVBFHUSA-N	358.376	-2.176	0	40	FAAB	
CC(C)CCN(C)C(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	1261424751	CXFYAEWNVCPHEH-UHFFFAOYSA-N	360.480	-1.063	0	40	FAAB	
CC(C)NC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CN2CCOCC2)nn1	1549162247	SPEBVTNYWRWNRV-RRFJBIMHSA-N	368.438	-1.054	0	40	FAAB	
NC(=O)c1cnc2c(ccn2[C@@H]2CN(C(=O)COCC(=O)O)C[C@H]2O)c1	1848354934	JBQBAJZTMZAFLS-VXGBXAGGSA-N	362.342	-1.019	0	40	FAAB	
COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O	4305770	OCTAXAHVUYMHBW-JAAXMTQOSA-N	355.343	-1.204	0	40	FAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1cnn(C)c1	2332242037	VMRMREAKMGVJET-JYJNAYRXSA-N	362.434	-1.154	0	40	FAAB	
CSc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546013	ZQRNZCAZNTVNPW-DALOQIEPSA-N	359.364	-2.604	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	1625235	OXTYJSXVUGJSGM-BUGNERGVSA-N	353.335	-1.674	0	40	FAAB	
CNC(=O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	530738419	ZMLHLPWDJYSUCX-SNVBAGLBSA-N	368.415	-1.329	0	40	FAAB	
Cn1c(O)c(S(=O)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	1872264	DBNAQVKZWRWUHQ-UHFFFAOYSA-N	358.332	-2.941	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)nc1SCc1ccccc1	5386657	IKEYLHWZCCHPGE-MIJXAVMKSA-N	367.383	-1.165	0	40	FAAB	
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	3898167	ULNYWSYTZHUVLX-WQURNTSKSA-N	366.378	-2.517	0	40	FAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O	36378880	FHNIYFZSHCGBPP-KJJMLKOFSA-N	356.324	-4.743	0	40	FAAB	
Nc1[nH]c(=O)[nH]c(=O)c1C(c1ccc(F)cc1)c1c(N)[nH]c(=O)[nH]c1=O	40156596	CMAVNDMKXZSYDA-UHFFFAOYSA-N	360.305	-1.077	0	40	FAAB	
CN1CCN(C(=O)[C@@H]2CN(C(=O)C3CC(O)C3)Cc3ncnn3C2)CC1	1565551552	OWXKIDOFVKRKDZ-ROKHWSDSSA-N	362.434	-1.219	0	40	FAAB	
CN(CC(=O)OCC(=O)N1CCN(S(C)(=O)=O)CC1)c1ncccn1	23199618	IAEYRWUKSPILBC-UHFFFAOYSA-N	371.419	-1.440	0	40	FAAB	
O=C(O)CCc1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1	77291524	AELQNMHOLDHBFA-DKBOKBLXSA-N	358.299	-1.320	0	40	FAAB	endogenous,in-man
COC(=O)C(=O)[C@@H](C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O	102979494	NZDBOPVVNCJSDC-VIFPVBQESA-N	350.283	-1.176	0	40	FAAB	
COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1	31808136	ORNBLWYKECMIBX-JTQLQIEISA-N	374.419	-1.465	0	40	FAAB	
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	71404971	GOSWTRUMMSCNCW-PANGGGJFSA-N	351.363	-1.212	0	40	FAAB	
CC(=O)NCC(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1	257297595	RHZLPUYZDUADOF-AWEZNQCLSA-N	356.404	-1.401	0	40	FAAB	
O=S1(=O)C[C@@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)[C@@H](O)C1	575421444	IMJAFCLIRSBOSM-NEPJUHHUSA-N	353.393	-1.033	0	40	FAAB	
CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCOCC3)N2C1	15708229	DRGQGYNXQOYKDE-XQQFMLRXSA-N	374.463	-1.884	0	40	FAAB	biogenic,in-vitro
O=C(c1ccco1)N1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1	16047703	WGPNCFAQVDPUHR-UHFFFAOYSA-N	354.344	-1.197	0	40	FAAB	
Nc1nc(O)c2c(n1)N([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)[C@H](N1CCCCC1)N2	254743644	AUVZLGWMRNNVLR-PPDNFWOQSA-N	368.394	-1.795	0	40	FAAB	
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	4654627	XNSAINXGIQZQOO-WOPDTQHZSA-N	362.390	-1.808	0	40	FAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)nc1SCc1ccccc1	5386658	IKEYLHWZCCHPGE-BBGACYKPSA-N	367.383	-1.165	0	40	FAAB	
O=C(O)[C@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	4095837	IGSYEZFZPOZFNC-RWLXHBTNSA-N	370.263	-5.213	0	40	FAAB	in-vitro
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1	514288361	AZDJKZUXCACOJN-HRCADAONSA-N	370.450	-1.289	0	40	FAAB	biogenic,in-vitro
COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O	34647721	LVNFIOGAAUPIPC-PMQCXRHVSA-N	356.327	-1.243	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	62725155	VPAYRDIKCLRDTG-ADVQIIOHSA-N	371.342	-1.284	0	40	FAAB	
CC(C)[C@@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)nc(N)[nH]c21	11616800	WPVFJKSGQUFQAP-RKDXNWHRSA-N	354.367	-1.437	0	40	FAAB	biogenic,in-vitro
CCOCC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	14186633	CBPSETHZNYPNCM-UHFFFAOYSA-N	358.420	-1.007	0	40	FAAB	
OC[C@@H]1O[C@H](OC[C@@H]2N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	5889027	VCIPQQCYKMORDY-XBRKIMNRSA-N	355.340	-5.782	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	17002879	QQOBRRFOVWGIMD-SYEHKZFSSA-N	371.302	-1.745	0	40	FAAB	biogenic
Cn1[nH]c(=O)c(=O)nc1SCC1=C(C(=O)O)N2C([O])=C(N)[C@H]2SC1	1560411749	PRNUNKDJJMPJIT-SNVBAGLBSA-N	370.392	-1.154	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	4544768	CRSFLLTWRCYNNX-ONLLLNKHSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
COCCn1c(N)c(C(=O)CN2CCC[C@@H]2C(=O)N(C)C)c(=O)[nH]c1=O	29155199	YXFONGARVBLEAY-SNVBAGLBSA-N	367.406	-1.500	0	40	FAAB	
CN(C)S(=O)(=O)N1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1	306123789	AWRUPWDGYALESP-JTQLQIEISA-N	351.454	-1.015	0	40	FAAB	
Nc1cc(=O)[nH]c(SCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1	12687375	CEIYVVZKFZYJSE-LURJTMIESA-N	361.405	-1.543	0	40	FAAB	
O=C(NCCN1CCOCC1)C(=O)NCc1n[nH]c(=O)c2ccccc12	17201003	KEPQALUYRHUNJQ-UHFFFAOYSA-N	359.386	-1.012	0	40	FAAB	
C[C@@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	248053197	XUWSHXDEJOOIND-FASFIFCNSA-N	364.347	-3.464	0	40	FAAB	
O=C(/C=C/CN1CCOCC1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	585291548	QBIAQXKXVKTCHJ-KIHCIEMGSA-N	369.462	-1.470	0	40	FAAB	
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1	6905417	WOKJFELXLJKULR-YTBGYOSVSA-N	355.343	-1.204	0	40	FAAB	
NC(=O)CNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1	3838750	XOMSVXUCECADBA-YRGRVCCFSA-N	351.334	-1.423	0	40	FAAB	biogenic,in-vitro
O=C(O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12	33835112	ZJDOESGVOWAULF-HSCRNISDSA-N	374.342	-2.318	0	40	FAAB	
C[C@@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	5706597	QAMHALDBICFASN-QMTHXVAHSA-N	367.358	-1.021	0	40	FAAB	
Nc1nc2c(nc(N3CCCCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	12653223	GGDRUEJIMBWLIE-QYVSTXNMSA-N	366.378	-1.696	0	40	FAAB	biogenic
COc1ncccc1C(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1	257285422	PHARXIJFNYIQBA-BXUZGUMPSA-N	359.404	-1.423	0	40	FAAB	
CO[C@@H]1O[C@@H](Nc2nc(SC)[nH]c(=O)c2C(C)=O)[C@@H](O)[C@H](O)[C@@H]1O	5544789	LFKCKUHWAUHWEJ-JFIPXVDISA-N	361.376	-1.482	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C12[C@H](C(=O)OC)C(=O)[C@H]2C(=O)OC	245239208	GLACKWQUYBCIJX-XAMCCFCMSA-N	356.283	-1.705	0	40	FAAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	254771424	MVUGFPZSODNQEX-XVIXHAIJSA-N	370.358	-1.215	0	40	FAAB	
Nc1ncnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	34513435	MRRXXEGKMDBWFH-ISCDUZKHSA-N	352.351	-2.143	0	40	FAAB	biogenic
CS(=O)(=O)N1CCN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1	14201810	HJGZOWWVLBRUDD-UHFFFAOYSA-N	366.399	-1.206	0	40	FAAB	
O=C(O)COCN(CN(CN(OCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	104128755	SGIFGTXWJWGOFX-UHFFFAOYSA-N	372.203	-2.543	0	40	FAAB	
CC(=O)NCCc1ccc(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1	1569992322	DDAQSNRNVPNZJX-HAFSJTIUSA-N	355.343	-1.364	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	9209170	BDPVKQAEONBPSN-DTITTZBUSA-N	352.351	-2.859	0	40	FAAB	biogenic
C[C@@]1(O)CCN(C(=O)[C@@H](N)CCCCN)C[C@H]1n1ccc(O)nc1=O	257294068	QSHAUMLJDSAUHW-HWWQOWPSSA-N	353.423	-1.070	0	40	FAAB	
C[C@@]1(O)CN(C(=O)CN2CCOCC2)CC[C@H]1n1ccc(O)nc1=O	257296618	RDOPJHPEHSVUFJ-MLGOLLRUSA-N	352.391	-1.195	0	40	FAAB	
O=C(CC1CC1)N[C@@H]1CO[C@H](Cn2cc(F)c(O)nc2=O)[C@@H](O)[C@H]1O	1615117205	GKBGJVWSOIGUEI-VCDKRKBESA-N	357.338	-1.507	0	40	FAAB	
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)CC1	2151124	ULNYWSYTZHUVLX-AEHQLWAISA-N	366.378	-2.517	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	85483003	OXTYJSXVUGJSGM-GURMABIDSA-N	353.335	-1.674	0	40	FAAB	biogenic
CS(=O)(=O)N1CCOC[C@@]2(CN(CC(=O)N3CCCC3)CCO2)C1	2055812390	DWWPWEUJRCOEHS-OAHLLOKOSA-N	361.464	-1.028	0	40	FAAB	
CCCCn1c(N)c(N(C)CC(=O)NC(=O)NCCOC)c(=O)[nH]c1=O	8924468	QJUPRJQPBQXRDE-UHFFFAOYSA-N	370.410	-1.173	0	40	FAAB	
CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@H](n1ccc(=O)[nH]c1=O)[C@H]2OC(C)=O	8984006	BEUXJRKCYAGSPH-DGORSVRFSA-N	354.271	-1.777	0	40	FAAB	biogenic,in-vitro
CN(C)CC(=O)N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1	330730473	IHHLQNKYMFLVSD-UHFFFAOYSA-N	362.496	-1.256	0	40	FAAB	
CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O	4742519	XKLZIVIOZDNKEQ-IREUOPFVSA-N	361.445	-1.069	0	40	FAAB	in-man
CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	96099679	BNINERIHIQSFAA-UHFFFAOYSA-N	350.422	-1.276	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@@H]1O	17703853	SOVSEJILHKLDOS-FUTROLMKSA-N	367.318	-1.564	0	40	FAAB	
COCC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(=O)NC(C)C)C[C@H]2CN1C	2332242153	LDAJMJCQRKQIJM-AVGNSLFASA-N	355.439	-1.260	0	40	FAAB	
O=C1CC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(=O)O)N1	2391087	ITYONPBTNRIEBA-GRYCIOLGSA-N	363.374	-1.209	0	40	FAAB	biogenic
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	33902473	GIUYCYHIANZCFB-UUOKFMHZSA-N	365.214	-1.724	0	40	FAAB	biogenic,in-vitro
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC(=O)N1	245377381	KIJMKINONVYUTA-WOPDTQHZSA-N	356.423	-1.591	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4018111	RLJFXPQTJCNTCL-WQURNTSKSA-N	351.363	-1.279	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	78034005	NCELYEUIJBVZHF-CMYBKFOJSA-N	373.347	-2.510	0	40	FAAB	
CC(=O)Nc1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	852526	IWCWSRODNPRNLK-QMHWVQJVSA-N	354.359	-1.033	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1I	2562618	XQFRJNBWHJMXHO-DSYKOEDSSA-N	354.100	-1.218	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	23397339	NCELYEUIJBVZHF-UNNHYBLFSA-N	373.347	-2.510	0	40	FAAB	
O=S1(=O)NC[C@H](O)CNC[C@]2(COc3ccccc31)C[C@H](O)[C@H](O)C2	253398848	HRITUXWBAKAPCT-NFFDBFGFSA-N	372.443	-1.190	0	40	FAAB	
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	9209166	ULNYWSYTZHUVLX-CYFJXOGMSA-N	366.378	-2.517	0	40	FAAB	
CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H]1C(=O)O)C(=O)NCCCCNC(=N)N	13719523	LTLYEAJONXGNFG-AXFHLTTASA-N	357.411	-1.251	0	40	FAAB	aggregator,biogenic
O=C([C@H]1CCCNC1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586568	QXPZMSDSRSBSIX-FIDHJVLJSA-N	374.478	-1.151	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]2O)n(C)c1=O	9975026	FKLZXPBQHYRPLB-XTKNIRHUSA-N	355.307	-4.101	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	216303253	VPAYRDIKCLRDTG-AQRJEWBLSA-N	371.342	-1.284	0	40	FAAB	
CC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1	5152239	XVIFZZGCCJWHHU-OXGONZEZSA-N	354.359	-1.033	0	40	FAAB	biogenic
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	12318139	UONWPCCRGXTMPY-ADGXKJENSA-N	365.390	-1.033	0	40	FAAB	biogenic
C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)C[C@@H](C)O1	12541132	UQYWOMGJBKMNHD-DTORHVGOSA-N	350.379	-1.482	0	40	FAAB	
CN(C)C[C@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@@H]1O	604381835	QWVHUANZXVSSKW-FWZIUSJTSA-N	362.448	-1.519	0	40	FAAB	biogenic,in-vitro
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I	2516150	LQQGJDJXUSAEMZ-TYQACLPBSA-N	369.115	-1.958	0	40	FAAB	
C[C@H]1O[C@@](O)(O[n+]2cccc([C@@H]3C[C@@H](O)C(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O	1570001716	RAKUEHYXVCAWBC-GWSGQCRBSA-N	371.366	-3.186	0	40	FAAB	
CC(=O)Nc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	4892673	IWCWSRODNPRNLK-ARKGTOAJSA-N	354.359	-1.033	0	40	FAAB	
O=C1CN(C(=O)c2cc(S(=O)(=O)N3CCNC(=O)C3)c[nH]2)CCN1	12933824	RSGHNTOYHPMOAG-UHFFFAOYSA-N	355.376	-2.293	0	40	FAAB	
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C	5760745	YMYAQYLZWWRCIC-BDYQZXKHSA-N	351.743	-2.346	0	40	FAAB	
CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	35636133	YSVYPLBRZMVZJE-ORQRXORTSA-N	367.351	-4.226	0	40	FAAB	
COCCn1nc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1=O	49590372	JGGNWZSIKHKRCG-SNVBAGLBSA-N	373.387	-1.650	0	40	FAAB	
COc1nc(N[C@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5759893	KTMBIWVGBRTPKR-DVLJTBHHSA-N	359.335	-2.185	0	40	FAAB	
Cc1cn(C[C@H]2OC[C@@H](NC(=O)c3ccco3)[C@H](O)[C@@H]2O)c(=O)nc1O	2037976909	PFTYXGKNNKFAGU-FOUMNBMASA-N	365.342	-1.230	0	40	FAAB	
O=C([C@H]1CCCNC1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643551546	QXPZMSDSRSBSIX-MZBWOGCUSA-N	374.478	-1.151	0	40	FAAB	
CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2	1565548281	ARZIUSQIHUKWEL-MRXNPFEDSA-N	366.422	-1.553	0	40	FAAB	
CN(C)C(=O)N1CCN(C(=O)CCS(C)(=O)=O)C[C@]2(CNC(=O)C2)C1	1565555747	GRWHUGWVWGULPQ-HNNXBMFYSA-N	374.463	-1.247	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4018109	RLJFXPQTJCNTCL-CYFJXOGMSA-N	351.363	-1.279	0	40	FAAB	
COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)N1CCOCC1	5398196	GPKBCBAHJWQEFE-DGCLKSJQSA-N	370.406	-1.351	0	40	FAAB	biogenic,in-vitro
C[C@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc([C@H](N)CO)no1)C(=O)O	888086969	HFOBENSCBRZVSP-GCJQMDKQSA-N	360.327	-2.889	0	40	FAAB	
COC(=O)C[C@H](C(=O)OC)N1CCN([C@H](CC(=O)OC)C(=O)OC)CC1	20219126	FRJXLAXGIQPDLI-VXGBXAGGSA-N	374.390	-1.187	0	40	FAAB	
CC(=O)O[C@H]1CO[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	35882823	RWXMBOHMNHIISC-WKSBVSIWSA-N	371.302	-1.745	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	78034006	NCELYEUIJBVZHF-KAFVXXCXSA-N	373.347	-2.510	0	40	FAAB	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO	5338949	ICCAXRYQUHEHDT-AAVRWANBSA-N	350.320	-1.302	0	40	FAAB	
CN1CC2(C1)C(=O)N(CCCN1CCCC1=O)C(=O)[C@@H]1C[C@@H](O)CN12	225393923	XSTNWGBHXWHDDD-OLZOCXBDSA-N	350.419	-1.513	0	40	FAAB	biogenic,in-vitro
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1	9334496	RQFCJASXJCIDSX-HJGQOHIQSA-N	363.223	-2.570	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=O	242688385	VPAYRDIKCLRDTG-USRAEIGSSA-N	371.342	-1.284	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	4544766	CRSFLLTWRCYNNX-TXRSOIPOSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
Cn1cc(S(=O)(=O)NCCCOC[C@H]2CCCO2)c(=O)n(C)c1=O	21700006	XMPZIQMFHFRGHK-LLVKDONJSA-N	361.420	-1.052	0	40	FAAB	
CN1N=C(O)C(=O)N[C@@H]1SCC1=C(C(=O)O)[C@@H]2C(=O)[C@@H](N)[C@H]2SC1	245224556	YQOXEBPMLKJSDG-SUVHFNJVSA-N	372.428	-1.041	0	40	FAAB	
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)nc(N)c2c1=O	1560456	KYOWULICTCFHHF-LJOMOVNESA-N	352.307	-3.334	0	40	FAAB	
O=C(CN1CCN(CCO)CC1)N1CC[C@](O)(CN2CCOCC2)C1	257318512	VOFZXOHBHQHZQJ-KRWDZBQOSA-N	356.467	-2.108	0	40	FAAB	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1I	44021087	LQQGJDJXUSAEMZ-BYPJNBLXSA-N	369.115	-1.958	0	40	FAAB	in-vitro
Cn1nnnc1SCC(=O)NCCn1nc(-n2cncn2)ccc1=O	96025192	ZWJZXJPHSNJKST-UHFFFAOYSA-N	362.379	-1.744	0	40	FAAB	
CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)NCCCOC)CC1	96126356	SYLJLMOWDWVCCF-CYBMUJFWSA-N	357.455	-1.009	0	40	FAAB	
Nc1c2ncn([C@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	5606507	MMCWKNMZNVBUAG-WDHZHIADSA-N	363.223	-2.625	0	40	FAAB	
C[C@@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)c1)C(=O)O	5920587	TZHYWXAHKUAKIC-FUAUIPCOSA-N	368.342	-1.186	0	40	FAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1	36820994	NOEVXVJUWPAWAZ-UHFFFAOYSA-N	373.435	-1.745	0	40	FAAB	
CC(=O)Nc1nc(N)c2ncn([C@H]3O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]3O)c2n1	4707854	OJBUNRHBKLMRRO-WINUVELESA-N	354.323	-2.661	0	40	FAAB	
Nc1nc(O)c2c(n1)N([C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)[C@@H](N1CCCCC1)N2	254743643	AUVZLGWMRNNVLR-JZYCKWHBSA-N	368.394	-1.795	0	40	FAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C	5760751	IETAPPVDKJBWJC-HPBSYMDFSA-N	367.811	-1.633	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1	242701758	WOKJFELXLJKULR-USRAEIGSSA-N	355.343	-1.204	0	40	FAAB	
O=C(O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12	38544451	ZJDOESGVOWAULF-UWQPTLNXSA-N	374.342	-2.318	0	40	FAAB	
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1C[C@@H](O)CO	95912150	VXXKDWBEVHGANN-YYMOATHLSA-N	360.359	-2.230	0	40	FAAB	biogenic,in-vitro
C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@H]21	5601183	VSJGJMKGNMDJCI-NYJHZRLTSA-N	358.343	-1.592	0	40	FAAB	
COCCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1	4328829	PJMUMJJNKCZYSK-CYBMUJFWSA-N	371.415	-1.088	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c(=O)n(C)c1=O	48302956	XLNGEOYHNJQZHD-JTQLQIEISA-N	356.404	-1.484	0	40	FAAB	
Nc1c2ncn([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]	5606509	MMCWKNMZNVBUAG-HGOUYRHRSA-N	363.223	-2.625	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	9209171	BDPVKQAEONBPSN-ZLGIUQBVSA-N	352.351	-2.859	0	40	FAAB	
Cc1ccn(CC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(=O)c1	585287726	CMEQGEDPQKQZCT-CPUCHLNUSA-N	351.403	-1.578	0	40	FAAB	
O=C(c1cnccn1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643913111	GMDWFEUMRFFNEA-KLHDSHLOSA-N	369.418	-1.047	0	40	FAAB	
NS(=O)(=O)c1ccc(N[C@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	37246051	GBKRMXPMCRWBET-VSSNEEPJSA-N	350.349	-3.134	0	40	FAAB	
O=C(CNC(=O)C(=O)NCCc1cccs1)N[C@H]1CCS(=O)(=O)C1	9691099	JSPGHEWSDHKKAJ-JTQLQIEISA-N	373.456	-1.174	0	40	FAAB	
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]([C@@H](CO)C(=O)O)CC1	49601637	IVUFRBWVXKXZMM-YSSIPNQWSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
CC(C)(C)NC(=O)CNC(=O)NCCS(=O)(=O)N1CCOCC1	52141092	KVNNSJBQGWCEGJ-UHFFFAOYSA-N	350.441	-1.138	0	40	FAAB	
COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H]1[C@@H](O)OC	257345348	NKPXXQQNLMLDTI-IMHINIOTSA-N	362.331	-1.262	0	40	FAAB	
COC(=O)C[C@@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]12	8686994	FIJQHCWDUJPIMZ-BOWXYFCWSA-N	361.303	-1.401	0	40	FAAB	
CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(N)=O	6195051	ZWNZLQXCAPIYFE-LURJTMIESA-N	355.376	-1.048	0	40	FAAB	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575420973	GYBCJZXJBLUBRQ-CHWSQXEVSA-N	362.429	-1.241	0	40	FAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	3869963	RQFCJASXJCIDSX-PXMDKTAGSA-N	363.223	-2.570	0	40	FAAB	biogenic,in-vitro
O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	33753785	JYTUSYBCFIZPBE-QOKIMYEXSA-N	358.296	-5.669	0	40	FAAB	
COCC(=O)NC[C@]1(O)CN(CC2(O)CCN(C(C)=O)CC2)C[C@H]1O	257334154	YESZQKIMJXUWSL-CJNGLKHVSA-N	359.423	-2.470	0	40	FAAB	
CS(=O)(=O)N1CC2(CN(CC3CC3)[C@H](C(=O)N3CCOCC3)CO2)C1	247561464	YXTOPLFMQAXUPM-AWEZNQCLSA-N	373.475	-1.030	0	40	FAAB	
C[C@@]1(O)CCN(C(=O)[C@@H](N)CCC(=O)O)C[C@H]1n1ccc(O)nc1=O	257322400	WFVBNEYLGAFHGQ-FEUHOPSXSA-N	354.363	-1.335	0	40	FAAB	
O=C1NC=N[C@H]2[C@@H]1N=CN2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	35112851	YSIMTGNFODFMMA-WDVGISTPSA-N	350.224	-3.261	0	40	FAAB	
Nc1ncnc2c1ncn2C[C@H]1OC[C@@H](NC(=O)c2ccoc2)[C@H](O)[C@@H]1O	2037978010	IMGZFXXHHRXEPT-VCDKRKBESA-N	374.357	-1.079	0	40	FAAB	
O=C1CN(CC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCC[C@H]43)CC2)C(=O)N1	257228901	FVTYYGUGXLDDIN-BPNCWPANSA-N	365.390	-1.179	0	40	FAAB	
CC(C)C[C@H](NC(=O)[C@H]1O[C@H]1C(=O)O)C(=O)NCCCCNC(=N)N	4475165	LTLYEAJONXGNFG-GARJFASQSA-N	357.411	-1.251	0	40	FAAB	aggregator,biogenic
CC(=O)Nc1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	4892668	IWCWSRODNPRNLK-OTJKEOIZSA-N	354.359	-1.033	0	40	FAAB	
COC(=O)C[C@@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)C[C@@]12C(=O)OC	19799766	MXIBKENDZANYTI-ACBRSEEZSA-N	361.303	-1.257	0	40	FAAB	
CC(=O)NCC(=O)N1CCOC[C@](O)(CNC(=O)c2ccccn2)C1	257249032	JGJZWUZRWSPRGA-INIZCTEOSA-N	350.375	-1.463	0	40	FAAB	
CCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1	48310494	IRHULUDKAZRHKE-SNVBAGLBSA-N	360.479	-1.529	0	40	FAAB	
Cn1c(=O)c2ncn(CN3CCN(S(C)(=O)=O)CC3)c2n(C)c1=O	12979386	YVIGBAXVBGQROI-UHFFFAOYSA-N	356.408	-2.032	0	40	FAAB	
O=C(O)CCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O	22942302	AJUKWYKWYHXJGM-UHFFFAOYSA-N	363.323	-2.565	0	40	FAAB	
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5390315	PCAZZGMLVCFODV-GTWRCXMXSA-N	350.291	-2.845	0	40	FAAB	
CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC)[C@@H](C)C1	26669215	VOSHCBQBVGSAJO-NSHDSACASA-N	356.427	-1.316	0	40	FAAB	
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]([C@@H](CO)C(=O)O)CC1	253532178	IVUFRBWVXKXZMM-PJYSBOOUSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
Cn1cnc(C(=O)N2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)c1	643913471	YYLOIDCXGADMBC-ZJIFWQFVSA-N	371.434	-1.104	0	40	FAAB	
CCN(C(=O)Cn1c(=O)c(C(N)=O)cn(C)c1=O)[C@H]1CCS(=O)(=O)C1	12997395	SFYAXIMTZUXQRH-VIFPVBQESA-N	372.403	-2.319	0	40	FAAB	
CC(=O)Nc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	4892667	XVIFZZGCCJWHHU-ARKGTOAJSA-N	354.359	-1.033	0	40	FAAB	
Cc1cn([C@H]2CN(C(=O)CCCN)C[C@H](O)C[C@]2(C)O)c(O)nc1=O	257224033	FAALVZIKPQQHOY-WQGACYEGSA-N	354.407	-1.118	0	40	FAAB	
C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C[C@H](C)O1	12541374	MURDUCQADCQVIL-UWVGGRQHSA-N	364.406	-1.472	0	40	FAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C1=O	225387301	HNNKPBWQTNHTOS-OLZOCXBDSA-N	363.370	-1.189	0	40	FAAB	biogenic,in-vitro
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1	3840150	NOIJVSCRQCXDKI-LALPHHSUSA-N	367.427	-1.181	0	40	FAAB	biogenic,in-vitro
Cc1cn([C@@H]2C[C@@H](CNC(=O)CCCC(=O)O)[C@@H](O)[C@@H]2O)c(O)nc1=O	257214437	CLZZPFLWTBLGAG-GZZJDILISA-N	369.374	-1.089	0	40	FAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CCO)[C@H]1[C@H]2C(=O)N(CCO)C(=O)[C@@H]2[C@H]31	100571027	NNCBLLLMELTIGX-IEDVVJRASA-N	360.366	-1.765	0	40	FAAB	
COc1ccc(CCC(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	77291740	OSJGZCUHTGTJHT-JHZZJYKESA-N	372.326	-1.017	0	40	FAAB	in-vitro
NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc(=O)[nH]c2=O)cc1	11905149	YMHZVSLTMQORLN-UHFFFAOYSA-N	352.372	-1.110	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	33492106	WOKJFELXLJKULR-YMSVYLFOSA-N	355.343	-1.204	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	257347512	KCLZXOUVOULMDP-MYBUGEPTSA-N	370.358	-2.171	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	9209168	BDPVKQAEONBPSN-YTDXRRJTSA-N	352.351	-2.859	0	40	FAAB	biogenic
NCCCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586467	FTMZNUTYMQBOID-XOSAIJSUSA-N	362.467	-1.022	0	40	FAAB	
COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13507279	IEMIRSXOYFWPFD-BJGSYIFTSA-N	356.327	-1.028	0	40	FAAB	
NC(=O)CN1CCCNCCN(CC(N)=O)CCN(CC(N)=O)CC1	22583295	JTTDZIRFXXXDCF-UHFFFAOYSA-N	357.459	-3.658	0	40	FAAB	
OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	70454718	WVHRUHMGDQLMBZ-KRWIWSHESA-N	362.331	-3.687	0	40	FAAB	biogenic,in-vitro
C[C@@]1(O)CCN(C(=O)[C@H](N)CCCCN)C[C@H]1n1ccc(O)nc1=O	257294069	QSHAUMLJDSAUHW-XHBSWPGZSA-N	353.423	-1.070	0	40	FAAB	
COCCn1c(N2CCN(CCO)CC2)nc2c1c(=O)[nH]c(=O)n2C	19913705	PVZVPLFEIYWXEV-UHFFFAOYSA-N	352.395	-1.816	0	40	FAAB	
C[C@H](O)CSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	201224060	QZGTWORENDJZMJ-XHNCKOQMSA-N	365.408	-2.022	0	40	FAAB	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CCNCC2)[C@@H](O)[C@H]1O	257269302	MPKBIMHULNDLPU-BQVMBELUSA-N	363.378	-2.104	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257198426	RVWWDDKOKZXKCJ-JSIFIVKGSA-N	370.310	-1.314	0	40	FAAB	
COCCn1c(N)c(C(=O)CN2CCC[C@H]2C(=O)N(C)C)c(=O)[nH]c1=O	29155201	YXFONGARVBLEAY-JTQLQIEISA-N	367.406	-1.500	0	40	FAAB	
COCCn1c(N2CCN(C(C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	72260119	IAMYOWMNVIIIII-UHFFFAOYSA-N	350.379	-1.262	0	40	FAAB	
O=C([C@@H]1CCCN1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586453	DISBKCRZHSIYDZ-AALSBFMBSA-N	360.451	-1.399	0	40	FAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1cncn1C	2332242012	MSQDQPIQBHCOEY-DZKIICNBSA-N	362.434	-1.154	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	13424931	CRSFLLTWRCYNNX-BKQKJWSFSA-N	370.310	-1.314	0	40	FAAB	in-vitro
COC(=O)CCc1ccc(OC)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95913658	MTRNLFDSILFHHT-USACIQFYSA-N	372.370	-1.021	0	40	FAAB	biogenic,in-vitro
O=C(O)CN1C(=O)N[C@@H]2O[C@@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@@H]21	102754519	JXEBQWMUDMAGTM-DAORTFEHSA-N	374.262	-2.744	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]2O)n(C)c1=O	9975029	FKLZXPBQHYRPLB-BISYPAIHSA-N	355.307	-4.101	0	40	FAAB	
Cn1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)c(=O)n(C)c1=O	25523959	UXTPQRNOWVISOR-QXFGSWAMSA-N	359.363	-1.081	0	40	FAAB	
CC(=O)Nc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)n(C)c2=O)cc1	41107840	ORJKYAOQBIEFSK-UHFFFAOYSA-N	361.358	-1.480	0	40	FAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ccnn1C	2332242032	UGTMDTXUXLGAFH-BPUTZDHNSA-N	362.434	-1.154	0	40	FAAB	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1I	44021090	LQQGJDJXUSAEMZ-FZGKIIIMSA-N	369.115	-1.958	0	40	FAAB	in-vitro
Cn1c(=O)c2c(ncn2[C@@H]2O[C@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]2O)n(C)c1=O	248013238	FKLZXPBQHYRPLB-LXTKAPGASA-N	355.307	-4.101	0	40	FAAB	
CSCC(=O)N1C[C@@H](NC(=O)NC(C)C)C[C@H]1C(=O)N(C)CC(N)=O	3838881	PTISMNMIHSQAOC-QWRGUYRKSA-N	373.479	-1.030	0	40	FAAB	biogenic,in-vitro
CN(C)C(=O)CO[C@@H](C(=O)N(C)C)[C@@H](OCC(=O)N(C)C)C(=O)N(C)C	5495756	LEBLDRRGDILNAO-ZIAGYGMSSA-N	374.438	-1.890	0	40	FAAB	
CC(C)Cn1c(N2CCN(CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	56952496	LVKWBYMHZJODCM-UHFFFAOYSA-N	363.422	-1.313	0	40	FAAB	
Nc1nc2c(nc(N3CCCCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	12406604	GGDRUEJIMBWLIE-SQFXPHBZSA-N	366.378	-1.696	0	40	FAAB	biogenic
COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)CN(C)C)CC1	2055746079	HZVYPUHONLJGFN-UHFFFAOYSA-N	366.466	-1.061	0	40	FAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@@H]2O)c(=O)[nH]1	3872742	ZDPUTNZENXVHJC-HJGQOHIQSA-N	363.223	-2.570	0	40	FAAB	
C[C@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)S(C)(=O)=O	47913256	PTXPLAOHJWOHSN-LLVKDONJSA-N	361.420	-2.051	0	40	FAAB	
O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)N[C@H]1CCS(=O)(=O)C1	8880776	PJBMRTQGBXLNCL-VIFPVBQESA-N	369.355	-1.126	0	40	FAAB	
CCN(CC)C(=O)CNC(=O)NCCS(=O)(=O)N1CCOCC1	52144646	WAIKKFQEBYHJTR-UHFFFAOYSA-N	350.441	-1.184	0	40	FAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C1=O	225387183	ZLICBBLZRUNIRW-OLZOCXBDSA-N	351.403	-1.040	0	40	FAAB	biogenic,in-vitro
Cn1cc(S(=O)(=O)N[C@@H]2Cc3ccccc3NC2=O)c(=O)n(C)c1=O	528542410	NTPYTUIZONFOQK-LLVKDONJSA-N	364.383	-1.074	0	40	FAAB	
C[C@H](CO)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1319874	DBVVQDGIJAUEAZ-OPYVMVOTSA-N	353.379	-1.132	0	40	FAAB	biogenic,in-vitro
CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(N)ncnc21	4707689	POHUCFSWYVMLKP-ABDJVACUSA-N	359.408	-1.904	0	40	FAAB	
Nc1ncnc2c1nc(N1CCOCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	8740368	MRRXXEGKMDBWFH-DTITTZBUSA-N	352.351	-2.143	0	40	FAAB	
NCCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	575420348	BBMLQBNPNWDZRU-NWDGAFQWSA-N	352.409	-1.067	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@@H]2O[C@H]([C@H](O)C(N)=O)[C@H](O)[C@H]2O)n(C)c1=O	248013245	FKLZXPBQHYRPLB-UPIAJVPPSA-N	355.307	-4.101	0	40	FAAB	
COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13523085	QJVXKWHHAMZTBY-CZZVJJMOSA-N	372.370	-1.112	0	40	FAAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)CCC(=O)O)[C@@H](O)[C@@H]2O)c(O)nc1=O	257330538	XOVATSQGXFZIMG-NRMKKVEVSA-N	355.347	-1.336	0	40	FAAB	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]([C@H](O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	257345347	NKPXXQQNLMLDTI-FKUYFSDWSA-N	362.331	-1.262	0	40	FAAB	
O=C(Cn1ncccc1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1	575610955	PVTRGOGVDASGMO-UHFFFAOYSA-N	367.373	-1.037	0	40	FAAB	
COc1cc([C@@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O	31169446	REHZVRNVHQFBAF-PQZGBVCXSA-N	360.359	-1.707	0	40	FAAB	biogenic,in-vitro
Cn1cc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)cn1	48286357	OQJUOUAPBGHUDW-UHFFFAOYSA-N	351.454	-1.724	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2)[C@H](O)[C@H]1O	15885489	HWELQUBQJDDHEY-WULRDOPVSA-N	372.374	-2.612	0	40	FAAB	
NCCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	575420349	BBMLQBNPNWDZRU-RYUDHWBXSA-N	352.409	-1.067	0	40	FAAB	
Cc1csc(=O)n1CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	9962729	AVSDJWCDJLZUFU-UHFFFAOYSA-N	368.371	-1.376	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCN)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575424969	DBBUHSQNMNWEIM-OLZOCXBDSA-N	364.445	-1.198	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	62725157	VPAYRDIKCLRDTG-HAFSJTIUSA-N	371.342	-1.284	0	40	FAAB	
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCNCC3)[C@@H](O)[C@H]2O1	225515972	KFYBFWMQNNAYRE-SZVRAQGESA-N	357.451	-1.234	0	40	FAAB	biogenic,in-vitro
Nc1nc(O)c2nc(N3CCCCC3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	239305974	GGDRUEJIMBWLIE-ISCDUZKHSA-N	366.378	-1.284	0	40	FAAB	
C[C@H](O)[C@H](N1CCN([C@@H]([C@H](C)O)S(=O)(=O)O)CC1)S(=O)(=O)O	256068869	KGOOEFUPVFKRHJ-AXTSPUMRSA-N	362.426	-2.207	0	40	FAAB	
CC1(C)NC(=O)N(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1=O	257320641	VXSDCPJWKHOGEX-MRXNPFEDSA-N	354.407	-1.388	0	40	FAAB	
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	4556682	JYTUSYBCFIZPBE-HNQRCSGOSA-N	358.296	-5.669	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	17198126	OXTYJSXVUGJSGM-LJUQJJLCSA-N	353.335	-1.674	0	40	FAAB	biogenic
CC(=O)NCCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2	2332243040	DKLSZNPJLBKHKR-ZDUSSCGKSA-N	370.431	-1.196	0	40	FAAB	
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C	5760743	YMYAQYLZWWRCIC-HPBSYMDFSA-N	351.743	-2.346	0	40	FAAB	
Cc1c([C@@H]2Cc3c(c(=O)n(C)c(=O)n3C)[C@@H](O)O2)c(=O)n(C)c(=O)n1C	12296950	GEITXJAJGBWDNT-XPTSAGLGSA-N	364.358	-1.905	0	40	FAAB	biogenic
CS(=O)(=O)NCc1cc(=O)n2c(n1)CN(C(=O)CC1(O)CCC1)CC2	2055772000	PRYBAUHDMPKXLW-UHFFFAOYSA-N	370.431	-1.060	0	40	FAAB	
Nc1nc(O)c2nc(N3CCCCC3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	239305975	GGDRUEJIMBWLIE-ZRPKBAQZSA-N	366.378	-1.284	0	40	FAAB	
C=C[C@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	537781	DUAGQYUORDTXOR-NKIOVVJJSA-N	356.327	-1.672	0	40	FAAB	
O=C(CCn1ccc(=O)[nH]c1=O)NCCn1nc(-n2cncn2)ccc1=O	96097935	IHHGUCQURPAMEY-UHFFFAOYSA-N	372.345	-2.120	0	40	FAAB	
C[C@@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	248053201	XUWSHXDEJOOIND-XEWURUBKSA-N	364.347	-3.464	0	40	FAAB	
CN(C)S(=O)(=O)N1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1	306123790	AWRUPWDGYALESP-SNVBAGLBSA-N	351.454	-1.015	0	40	FAAB	
CNC(=O)[C@@H]1COC2(CN(C(=O)CCS(C)(=O)=O)C2)CN1CC1CC1	247952901	MQKLYYZLSZPBLY-ZDUSSCGKSA-N	373.475	-1.141	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	4417047	JSZJNSUQMVVBLG-ZNSHCXBVSA-N	350.349	-3.292	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	5723172	OXTYJSXVUGJSGM-FCCZHNFCSA-N	353.335	-1.674	0	40	FAAB	
O=C(Nc1nccs1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	257291245	QGFPGWHQNRDPNF-GSLUXQPVSA-N	361.401	-2.191	0	40	FAAB	
Cn1cncc1CN1C[C@H](O)[C@@H](n2cnc3c(=O)n(C)c(=O)n(C)c32)C1	643913336	RLZGCUSFVYIDHL-RYUDHWBXSA-N	359.390	-1.415	0	40	FAAB	
CN1CCN(C(=O)[C@H]2CN(C(=O)C3CC(O)C3)Cc3ncnn3C2)CC1	1614933397	OWXKIDOFVKRKDZ-MOKVOYLWSA-N	362.434	-1.219	0	40	FAAB	
CCOCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2	2332243028	CTDFLLUWKJHPDQ-ZDUSSCGKSA-N	362.448	-1.250	0	40	FAAB	
Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(c2cncnc2)C(=O)CO3)n1	1614937437	KOBOEEMBWIJURP-INIZCTEOSA-N	373.373	-1.120	0	40	FAAB	
Nc1c2ncn([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O)c2nc[n+]1[O-]	5606514	MMCWKNMZNVBUAG-PERBPWGJSA-N	363.223	-2.625	0	40	FAAB	
COc1ccc(/C=C\C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	31166230	FQWZGEBZILOCET-QEQKPWIDSA-N	356.327	-1.028	0	40	FAAB	biogenic,in-vitro
O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCNC1=O	32770131	LRAAKZQODOQQBR-UHFFFAOYSA-N	361.424	-2.267	0	40	FAAB	
Nc1nc2c(nc(Br)n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	2083275	ASUCSHXLTWZYBA-SFOZADRHSA-N	362.140	-1.924	0	40	FAAB	
COC(=O)CNC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1	36353353	JIVVYTYQKSRLOK-GFCCVEGCSA-N	369.399	-1.145	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	13424699	CRSFLLTWRCYNNX-GDFYCBJMSA-N	370.310	-1.314	0	40	FAAB	in-vitro
C[C@]1(O)C[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	35465905	XUWSHXDEJOOIND-RNXSEXNXSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
C[C@]1(O)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	253388785	XUWSHXDEJOOIND-AXDGCBSSSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	5601182	VSJGJMKGNMDJCI-NHODSCEWSA-N	358.343	-1.592	0	40	FAAB	
COC(=O)Cn1c(=O)c2c(nc3n(CC(=O)OC)c(C)cn23)n(C)c1=O	10271970	MBDRMRJPBJKHQV-UHFFFAOYSA-N	363.330	-1.196	0	40	FAAB	
COCCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	102374432	ZFBHYHJVFRYTOS-PHIMTYICSA-N	367.358	-1.047	0	40	FAAB	
Nc1nc2c(nc(N3CCNCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	6150376	RLUMDLMWJCRUQP-YWZCALJYSA-N	367.366	-3.277	0	40	FAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)CC2CCOCC2)C[C@H]1O	257200253	ACORJEGLCBVMLE-TZMCWYRMSA-N	350.437	-1.323	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C12[C@@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC	3848631	GLACKWQUYBCIJX-XUTVFYLZSA-N	356.283	-1.705	0	40	FAAB	biogenic
CSc1nc2c(nnn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5760127	SSFGJCYOSGSJLI-JKHDZATESA-N	359.364	-2.781	0	40	FAAB	
COC(=O)[C@H](C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	96306544	MYHCNGGUPXHGNB-VIFPVBQESA-N	351.363	-1.011	0	40	FAAB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O	100643704	FVWBNLDRURMYGI-UEICNUPNSA-N	356.334	-1.137	0	40	FAAB	
CCOC(=O)NCCNCCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1	217361316	APGXBAHXCWXHTQ-JTQLQIEISA-N	357.454	-1.571	0	40	FAAB	
OC[C@@H]1O[C@H](OC[C@@H]2N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	5889031	VCIPQQCYKMORDY-WYIVTIPISA-N	355.340	-5.782	0	40	FAAB	
Nc1nc2c(nc(Br)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	9209380	ASUCSHXLTWZYBA-MITLYWJASA-N	362.140	-1.924	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]1O	31298169	LTBCQBSAWAZBDF-MLTZYSBQSA-N	364.315	-2.455	0	40	FAAB	biogenic,in-vitro
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O	4348410	CRSFLLTWRCYNNX-PHVBXJGCSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C[C@H](O)Cn2cccn2)CC1	51502343	KBXUOMPSLZRESW-KBPBESRZSA-N	356.448	-1.177	0	40	FAAB	
O=C(O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12	257771259	ZJDOESGVOWAULF-CYEPTXPBSA-N	374.342	-2.318	0	40	FAAB	endogenous,in-man
CCc1nnc(SCC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)n1N	3315849	TZMDLBDCYKMCIJ-MRVPVSSYSA-N	356.408	-1.464	0	40	FAAB	
C[C@H](O)C(=O)N[C@H](CCC(=O)O[C@@H](C)C(=O)O)C(=O)O[C@H](C)C(=O)O	2060999937	WMMPBBFJURQULZ-RBXMUDONSA-N	363.319	-1.335	0	40	FAAB	
CCOC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	5807946	RXVANWAGBRZRSN-MCHASIABSA-N	359.291	-2.966	0	40	FAAB	
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O	3838763	LTHDCGFMCXJXMA-UGKPPGOTSA-N	353.400	-1.112	0	40	FAAB	biogenic,in-vitro
C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C[C@@H](C)O1	12541372	MURDUCQADCQVIL-AOOOYVTPSA-N	364.406	-1.472	0	40	FAAB	
O=C1NCC[C@@H]2[C@@H]1N=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	245380103	RKWIRJQBGMGUNJ-GPVWGEJLSA-N	354.407	-2.160	0	40	FAAB	
CS(=O)(=O)N1CCOC[C@]2(CN(CC(=O)N3CCCC3)CCO2)C1	2055812389	DWWPWEUJRCOEHS-HNNXBMFYSA-N	361.464	-1.028	0	40	FAAB	
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C	5760742	YMYAQYLZWWRCIC-BCROTXFESA-N	351.743	-2.346	0	40	FAAB	
C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	25628231	XXAUOPDVAKGRPR-HOTMZDKISA-N	373.410	-2.563	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@H]2CN(C(=O)CN)CC[C@]2(C)O)n(C)c1=O	257216067	CSYRRMYPZYHHOF-VFZGTOFNSA-N	350.379	-2.083	0	40	FAAB	
O=C(NC[C@]1(O)CN(CC2(O)CCOCC2)C[C@H]1O)c1ccccn1	257282987	OWDYBOWFKKJDCK-PBHICJAKSA-N	351.403	-1.240	0	40	FAAB	
O=C(N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CN2CCOCC2)nn1)C1CC1	1549162893	YENGDDWTSXZXTF-RRFJBIMHSA-N	351.407	-1.235	0	40	FAAB	
O=S(=O)(O)[C@H](O)CC=C([C@@H](O)S(=O)(=O)O)[C@H](O)S(=O)(=O)O	4683841	MMNUWRNFFPSXJR-HCWXCVPCSA-N	372.351	-3.079	0	40	FAAB	
CC(C)[C@H](NC=O)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	35900202	AYGHYIMPMGWQND-VIFPVBQESA-N	352.351	-1.010	0	40	FAAB	in-vitro
COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c1OC	253529511	CXFDTBRNJQYDLK-QKZHPOIUSA-N	360.315	-1.634	0	40	FAAB	biogenic,in-vitro
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1	20033655	KNENUAARCSPFKD-UHFFFAOYSA-N	374.400	-1.502	0	40	FAAB	
CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H]1CCS(=O)(=O)C1	58281832	FMOBQVYMLBZWRE-VIFPVBQESA-N	358.420	-1.642	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1I	6091017	IPVFGAYTKQKGBM-UNGCPHIMSA-N	372.090	-1.270	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	3830255	QQOBRRFOVWGIMD-XYJRDEOASA-N	371.302	-1.745	0	40	FAAB	
Nc1ncn(C[C@@H](O)CN2CCOCC2)c2nc(N3CCOCC3)nc1-2	20170578	IXOJUHLTQOUAHU-LBPRGKRZSA-N	363.422	-1.110	0	40	FAAB	
CCOC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	5807945	RXVANWAGBRZRSN-PJFCORBGSA-N	359.291	-2.966	0	40	FAAB	
Cn1cc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(=O)n(C)c1=O	24345326	SEOCDJZWVHOFJX-NSHDSACASA-N	351.406	-2.061	0	40	FAAB	
CSC[S@](=O)C[C@H](CO)NC(=O)/C=C\c1c(C)[nH]c(=O)[nH]c1=O	32011145	XKLZIVIOZDNKEQ-LKOCBKRESA-N	361.445	-1.069	0	40	FAAB	
COCCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	102374437	ZFBHYHJVFRYTOS-GHMZBOCLSA-N	367.358	-1.047	0	40	FAAB	
C[C@H](O)CSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	145953214	QZGTWORENDJZMJ-DJLDLDEBSA-N	365.408	-2.022	0	40	FAAB	in-vitro
Cc1cn([C@@H]2[C@@H](O)[C@@H](CNC(=O)CCCC(=O)O)C[C@H]2O)c(O)nc1=O	257305404	SPWCSGHSLCZPBX-JYILRKAJSA-N	369.374	-1.089	0	40	FAAB	
COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc(C)nc(N)n2)C1	257316277	VEXNAKSYLMHEJD-HNNXBMFYSA-N	353.379	-1.667	0	40	FAAB	
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	25628224	XXAUOPDVAKGRPR-RXKWGBCNSA-N	373.410	-2.563	0	40	FAAB	
Cn1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c(=O)n(C)c1=O	56103857	VYYFZDMODBMJPR-UHFFFAOYSA-N	358.298	-1.959	0	40	FAAB	
CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)CN3CCOCC3)C2)CC1	257297777	RITKMSDTYIABRX-KRWDZBQOSA-N	354.451	-1.554	0	40	FAAB	
Nc1nc2c(nc(N3CCOCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	4256213	BNDIZWMKIIMLTJ-YWZCALJYSA-N	368.350	-2.850	0	40	FAAB	
Cn1cnc2c1c(=O)n(CC(=O)N1CCC3(CC1)OCCO3)c(=O)n2C	24996056	ABINAPIKQIDGFR-UHFFFAOYSA-N	363.374	-1.201	0	40	FAAB	
CS(=O)(=O)NC[C@]1(O)CCN(CC(=O)N2CCOCC2)C[C@H]1O	257207802	BJIBXTILWRGKBC-DGCLKSJQSA-N	351.425	-2.808	0	40	FAAB	
NCCC(=O)N1CC[C@@](O)(Cn2ccc3cc(C(N)=O)cnc32)[C@H](O)C1	257263815	LRPJULDBJHWKSX-CXAGYDPISA-N	361.402	-1.192	0	40	FAAB	
Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	2090819	BNDIZWMKIIMLTJ-WOUKDFQISA-N	368.350	-2.850	0	40	FAAB	biogenic
CN(C)Cc1cn(C[C@H]2C[C@@H](NC(=O)c3cnccn3)[C@H](O)[C@@H]2O)nn1	225509591	HZNATIXUUSBOQR-LTZCYQRMSA-N	361.406	-1.330	0	40	FAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I	1044266	RKSLVDIXBGWPIS-TYQACLPBSA-N	370.099	-2.247	0	40	FAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19323246	AQRKTEPLGLVFHX-FCCBXXFTSA-N	358.435	-2.245	0	40	FAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OCc1ccccc1	5811010	ACWJNEMMZVDODA-SFDCQRBFSA-N	350.327	-1.273	0	40	FAAB	
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	6905469	WOKJFELXLJKULR-HAFSJTIUSA-N	355.343	-1.204	0	40	FAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1	1532555	RQFCJASXJCIDSX-GIMIYPNGSA-N	363.223	-2.570	0	40	FAAB	in-vitro
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3830849	GIUYCYHIANZCFB-HAVMAKPUSA-N	365.214	-1.724	0	40	FAAB	
O=C(NC[C@@]1(O)COCCN(C(=O)C2CCNCC2)C1)c1cnco1	257232704	GMAJREWDRYMXFJ-INIZCTEOSA-N	352.391	-1.006	0	40	FAAB	
O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN(CCO)CCO)C1	585291071	JFVDBDBNMGGZMK-AEFFLSMTSA-N	352.431	-1.160	0	40	FAAB	
COCCn1c(N)c(C(=O)CN(C)CC(=O)NC(C)C)c(=O)[nH]c1=O	32857843	JWMDAMUODALWAH-UHFFFAOYSA-N	355.395	-1.596	0	40	FAAB	
COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575425891	IOUOCABXCYGJNA-QWHCGFSZSA-N	364.445	-1.279	0	40	FAAB	
O=C(O)[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO	12405025	JYTUSYBCFIZPBE-WJVZIYFOSA-N	358.296	-5.669	0	40	FAAB	biogenic,in-vitro
CCS(=O)(=O)NCCNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	103145419	STEHQTBGLNSXBO-UKJIMTQDSA-N	355.416	-1.151	0	40	FAAB	
COCCN1[C@@H]2CN(C(=O)N3CCOCC3)C[C@@H]2OCCS1(=O)=O	1534645804	GKLFAOQDRUZDET-OLZOCXBDSA-N	363.436	-1.200	0	40	FAAB	
COCCN1C(=O)C(=O)N(CC(=O)c2c(N)n(C)c(=O)[nH]c2=O)C1=O	14112654	MDFBANWIQJDOBP-UHFFFAOYSA-N	353.291	-2.724	0	40	FAAB	
C[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	15721475	XXAUOPDVAKGRPR-VVULQXIFSA-N	373.410	-2.563	0	40	FAAB	
COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC	253532277	QRWNMJBTANFMHA-CQUYNDQOSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
CCS(=O)(=O)C([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC	5732463	PZZBGEZJRSVHLO-FNCVBFRFSA-N	350.411	-3.382	0	40	FAAB	
O=S(=O)(O)[C@H](O)CC=C([C@@H](O)S(=O)(=O)O)[C@@H](O)S(=O)(=O)O	4683837	MMNUWRNFFPSXJR-ZLUOBGJFSA-N	372.351	-3.079	0	40	FAAB	
O=S(=O)(O)[C@H](O)CC=C([C@H](O)S(=O)(=O)O)[C@H](O)S(=O)(=O)O	4683849	MMNUWRNFFPSXJR-KVQBGUIXSA-N	372.351	-3.079	0	40	FAAB	
CC(=O)Nc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1	4892663	XVIFZZGCCJWHHU-CQJMVSDSSA-N	354.359	-1.033	0	40	FAAB	
Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1CCOCCO	10233379	PVCXBQRFUYNORC-UHFFFAOYSA-N	364.362	-2.048	0	40	FAAB	
C[C@H](O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	77300920	QZGTWORENDJZMJ-CIUDSAMLSA-N	365.408	-2.022	0	40	FAAB	in-vitro
Cn1nnnc1SCC(=O)N1CCN(CCn2ncccc2=O)CC1	85436412	ARXWCXQLDXBWOA-UHFFFAOYSA-N	364.435	-1.297	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](CO)C(=O)O	5062928	KYTIRPLRFNXNAU-NSHDSACASA-N	353.331	-1.409	0	40	FAAB	
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@H](n1ccc(=O)[nH]c1=O)[C@H]2OC(C)=O	8780920	BEUXJRKCYAGSPH-HTFCKZLJSA-N	354.271	-1.777	0	40	FAAB	biogenic,in-vitro
Cc1cn([C@@H]2CN(C(=O)[C@H](N)CCC(N)=O)CC[C@@]2(C)O)c(O)nc1=O	257234070	GRXWXSVLCFTDIM-GLKRBJQHSA-N	367.406	-1.625	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	23397342	NCELYEUIJBVZHF-JORRXTOJSA-N	373.347	-2.510	0	40	FAAB	
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1	514289444	UKMUTDGVAQYATM-SOUVJXGZSA-N	356.423	-1.679	0	40	FAAB	biogenic,in-vitro
C[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	15721338	KFAHJBXSCMRXIA-RBXMUDONSA-N	359.383	-2.952	0	40	FAAB	in-vitro
COC(=O)C[C@@H]1[C@H]2[C@@H](C(=O)OC)[C@H](C(=O)OC)ON2O[C@H]1C(=O)OC	102685883	FIJQHCWDUJPIMZ-WVTGURRWSA-N	361.303	-1.401	0	40	FAAB	
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=CC1=N2	5567887	MSMDYXCIEJKUMY-QMPIGLIWSA-N	362.366	-1.552	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCN)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575424970	DBBUHSQNMNWEIM-QWHCGFSZSA-N	364.445	-1.198	0	40	FAAB	
CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccccc2)CC1	19831483	LAMPFGGXTTUYDD-UHFFFAOYSA-N	368.459	-1.004	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	19990551	JQVIHFVVMMXNPV-ISCDUZKHSA-N	353.335	-2.432	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)[C@H](O)[C@@H]1O	35361010	HWELQUBQJDDHEY-MRQNQDQGSA-N	372.374	-2.612	0	40	FAAB	
CS(=O)(=O)N1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1	40017913	LJAOWNKOUWSGDD-UHFFFAOYSA-N	371.419	-1.786	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	82037359	QQOBRRFOVWGIMD-SQNXGDPESA-N	371.302	-1.745	0	40	FAAB	biogenic
OCCN1CCOCCOCCOCCN(CCO)CCOCC1	3896107	HNBSNRVPRPJTDZ-UHFFFAOYSA-N	350.456	-1.345	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C2C1[C@@H](C(=O)OC)C(=O)[C@H]2C(=O)OC	4530523	SWCWCPQCKMRHID-IRLGLTFLSA-N	370.310	-1.459	0	40	FAAB	
COC(=O)C[C@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12	102685886	FIJQHCWDUJPIMZ-RPJMYOHSSA-N	361.303	-1.401	0	40	FAAB	
O=C(Cn1nnc2ccccc2c1=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1	9349295	FEESBHPPFXDIHD-SECBINFHSA-N	365.371	-1.196	0	40	FAAB	
COc1cc(C=O)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342130	DHSJSCKOXMSVNH-LEOABGAYSA-N	355.343	-1.170	0	40	FAAB	
C[C@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@@H]1O	5640670	HTWIJVQWHZWTDC-HQZRTKMMSA-N	355.307	-3.171	0	40	FAAB	
CO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	13536750	FHNIYFZSHCGBPP-HWPWYXKTSA-N	356.324	-4.743	0	40	FAAB	
C[C@@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@H]1O	5640665	HTWIJVQWHZWTDC-CQKJNYHOSA-N	355.307	-3.171	0	40	FAAB	
CN1CCN(C(=O)[C@@H]2CN(C(=O)c3ncn(C)n3)Cc3ncnn3C2)CC1	1565553876	MCINCOUMTJZKIX-GFCCVEGCSA-N	373.421	-1.547	0	40	FAAB	
COCCNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(C)(=O)=O)CC1	2055745822	DXNGFASZBFLVLG-UHFFFAOYSA-N	359.452	-1.189	0	40	FAAB	
COCC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1O	257241271	HXJPVAFTJQWSCI-VXGBXAGGSA-N	370.387	-1.647	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@@H](n2cnc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5492480	OTQJVHISAFFLMA-FIQHERPVSA-N	370.318	-1.456	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	62725159	VPAYRDIKCLRDTG-YTBGYOSVSA-N	371.342	-1.284	0	40	FAAB	
COc1cc(C(=O)N2C[C@H]3OCC(=O)N(CC(=O)N(C)C)[C@@H]3C2)on1	1614932978	FBPAPWCWWLJOET-MWLCHTKSSA-N	352.347	-1.177	0	40	FAAB	
CN(C)C(=O)N1CCN(C(=O)CCS(C)(=O)=O)C[C@@]2(CNC(=O)C2)C1	1614940559	GRWHUGWVWGULPQ-OAHLLOKOSA-N	374.463	-1.247	0	40	FAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1nccn1C	2332242036	VGMAYYGKFGRDAU-KKUMJFAQSA-N	362.434	-1.154	0	40	FAAB	
CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5544826	HBXJYTFPZSYZAQ-YHZLNDEXSA-N	360.323	-4.191	0	40	FAAB	
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2	6018748	PMBZSEOAOIYRMW-XFWGRBSCSA-N	357.315	-1.831	0	40	FAAB	biogenic,in-vitro
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	19331345	AAPGTVLJFQIDHP-YITJKGPOSA-N	356.463	-1.114	0	40	FAAB	
O=C(CNC(=O)c1ccccc1)NCC(=O)N[C@H]1CCS(=O)(=O)C1	52996932	ODEJEEUKDRCPKO-LBPRGKRZSA-N	353.400	-1.164	0	40	FAAB	
CCn1cnnc1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	58342774	WCJJULANSOKFRJ-QWRGUYRKSA-N	355.420	-1.050	0	40	FAAB	
CCS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O	4994341	WVDINDKKBLECNG-SANCVJEGSA-N	350.393	-2.467	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1	9952959	OJCZOVQFTVUBMV-UHFFFAOYSA-N	358.420	-1.045	0	40	FAAB	
CNc1ncc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	585290538	FGEWIFRHTKHDGC-OAGGEKHMSA-N	351.451	-0.465	0	40	FAAB	
C[C@H]1O[C@](O)(O[n+]2cccc([C@@H]3C[C@@H](O)C(=O)N3C)c2)[C@H](O)[C@@H](O)[C@@H]1O	1570001717	RAKUEHYXVCAWBC-NJBMHPOZSA-N	371.366	-3.186	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4532649	KCLZXOUVOULMDP-NBRWMIFNSA-N	370.358	-2.171	0	40	FAAB	
O=S1(=O)C[C@@H](O)[C@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1	575421451	IMJAFCLIRSBOSM-VXGBXAGGSA-N	353.393	-1.033	0	40	FAAB	
C[C@H](O)C(=O)COC(=O)[C@H](CC(=O)O[C@@H](C)C(=O)O)NC(=O)[C@H](C)O	2060999895	ODGGQUKGCIIRQR-JBDRJPRFSA-N	363.319	-2.249	0	40	FAAB	
C[C@H](O)C(=O)COC(=O)[C@H](CC(=O)O[C@@H](C)C(=O)O)NC(=O)[C@@H](C)O	2060999897	ODGGQUKGCIIRQR-KZVJFYERSA-N	363.319	-2.249	0	40	FAAB	
C[C@H](O)[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)C(=O)O	5919615	YMOZUVAVEMAUOG-IVQVNHIISA-N	368.342	-1.186	0	40	FAAB	
CC(=O)N1CCN(c2c(NC[C@H](O)CN3CCOCC3)c(=O)c2=O)CC1	101703961	ZRVWTTPNVCSXAP-ZDUSSCGKSA-N	366.418	-1.944	0	40	FAAB	
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	16035858	AEGXQXAAFKOKMX-GCDPNZCJSA-N	365.394	-2.228	0	40	FAAB	biogenic
Cc1cn([C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)CC[C@@]2(C)O)c(O)nc1=O	257234071	GRXWXSVLCFTDIM-LYOVBCGYSA-N	367.406	-1.625	0	40	FAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OCc1ccccc1	5811007	ACWJNEMMZVDODA-KYEXWDHISA-N	350.327	-1.273	0	40	FAAB	
COc1cc([C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O	31169449	REHZVRNVHQFBAF-YYMOATHLSA-N	360.359	-1.707	0	40	FAAB	biogenic,in-vitro
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C2C1[C@@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC	17885030	SWCWCPQCKMRHID-IJABSKIDSA-N	370.310	-1.459	0	40	FAAB	
C[C@]1(NC(=O)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	3245159	SDLWOYXXQFUFJE-RYUDHWBXSA-N	352.434	-1.627	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	4011871	AUFUWRKPQLGTGF-AHLTXXRQSA-N	370.314	-1.140	0	40	FAAB	
CNC(=O)[C@H]1COC2(CN(C(=O)CCS(C)(=O)=O)C2)CN1CC1CC1	247952897	MQKLYYZLSZPBLY-CYBMUJFWSA-N	373.475	-1.141	0	40	FAAB	
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCO)C1	31809746	DDWRYDDPRDHOFV-SECBINFHSA-N	360.392	-2.119	0	40	FAAB	
CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C2(C(=O)O)CC2)CC1	585138604	MJXMXVRGDRAJAP-UHFFFAOYSA-N	353.422	-1.032	0	40	FAAB	
Cn1c(=O)c2c(nc3scc(CN(CCO)CCO)n32)n(C)c1=O	4625121	LLHZGIIBLBMIJE-UHFFFAOYSA-N	353.404	-1.267	0	40	FAAB	
CN1CCN(C(=O)[C@@H]2C[C@H]3CN(C(=O)CCS(C)(=O)=O)C[C@H]2O3)CC1	1565549049	OBNINKPBDZLZJR-BFHYXJOUSA-N	373.475	-1.189	0	40	FAAB	
CN1CCN(C(=O)[C@H]2C[C@H]3CN(C(=O)CCS(C)(=O)=O)C[C@H]2O3)CC1	1565549050	OBNINKPBDZLZJR-MELADBBJSA-N	373.475	-1.189	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C2C1[C@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC	4530521	SWCWCPQCKMRHID-SVIIGIRWSA-N	370.310	-1.459	0	40	FAAB	
COCCN(CC(=O)N(C)C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	32916436	NWKAEDRAOQWVIT-UHFFFAOYSA-N	362.408	-2.191	0	40	FAAB	
O=C(C[C@@H]1O[C@H](CNC(=O)N2CCOCC2)[C@@H](O)[C@H]1O)N1CCOCC1	8643591	NMCCCADMYKKGKY-MYZSUADSSA-N	373.406	-2.234	0	40	FAAB	biogenic,in-vitro
CNC(=O)C1CN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1	585290850	GIDMEEUYURONHM-ZBFHGGJFSA-N	369.443	-1.539	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	3830256	QQOBRRFOVWGIMD-FOUMNBMASA-N	371.302	-1.745	0	40	FAAB	
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5812914	FMYIGYIGNUAPIW-JFEMGPMLSA-N	358.376	-2.176	0	40	FAAB	
COCC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)N1CCOCC1)C2	604382030	ZSLLQYKQWNUVOP-CQSZACIVSA-N	368.434	-1.318	0	40	FAAB	biogenic,in-vitro
OCC1=CC[C@H]2C=CO[C@H](O[C@H]3O[C@](O)(CO)C(O)(O)[C@H](O)[C@H]3O)[C@@H]12	5133306	SSYXHGGOPFIYJV-UZPSBJQPSA-N	362.331	-3.132	0	40	FAAB	
CC(C)C[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCNC(=N)N	28244802	LTLYEAJONXGNFG-VWYCJHECSA-N	357.411	-1.251	0	40	FAAB	in-vitro
C[C@H](O)C(=O)N[C@H](CCC(=O)O[C@H](C)C(=O)O)C(=O)O[C@@H](C)C(=O)O	2060999938	WMMPBBFJURQULZ-UYXSQOIJSA-N	363.319	-1.335	0	40	FAAB	
CN1N=C(O)C(=O)N[C@@H]1SCC1=C(C(=O)O)[C@@H]2C(=O)[C@@H](N)[C@@H]2SC1	245224557	YQOXEBPMLKJSDG-UHXVNSHHSA-N	372.428	-1.041	0	40	FAAB	
CN1CCN(C(=O)[C@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)Cc3ncnn3C2)CC1	1565546910	BHNKIFGELRCFQT-TTZDDIAXSA-N	374.445	-1.097	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238753031	RVWWDDKOKZXKCJ-IEYAYZOXSA-N	370.310	-1.314	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	3958670	NCELYEUIJBVZHF-CVBWSWDWSA-N	373.347	-2.510	0	40	FAAB	
CC(=O)Nc1ccc(NC(C)=O)c(N[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c1	3998978	FSQKTXGKIAMOHZ-QCODTGAPSA-N	369.374	-1.185	0	40	FAAB	biogenic
COc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886009	MGYXHYCKLVSISM-DCPHZCSOSA-N	357.323	-3.307	0	40	FAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CCO)[C@@H]1[C@H]3[C@H]2C(=O)N(CCO)C(=O)[C@@H]21	4175107	NNCBLLLMELTIGX-LZUQCMGVSA-N	360.366	-1.765	0	40	FAAB	
C[C@H](O)Cn1c(NCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	23109777	VAYPMTJGDHSJEE-JTQLQIEISA-N	352.395	-1.452	0	40	FAAB	
CC1(C)S[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N2[C@@H]1C(=O)NCCO	257275768	NQULNXGHCQQDAV-YNYARCGMSA-N	350.393	-3.399	0	40	FAAB	
O=C(O)CN1C(=O)N[C@@H]2O[C@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@H]21	5908817	JXEBQWMUDMAGTM-BHQVJMJVSA-N	374.262	-2.744	0	40	FAAB	
CN(C)C(=O)CN1C(=O)CO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]21	1614940638	SVDNEWWCRPNVIG-CHWSQXEVSA-N	362.386	-1.625	0	40	FAAB	
CS(=O)(=O)N1CCN2C[C@H](C(=O)O)CN(c3ncccn3)C[C@H]2C1	107819517	UKRXQDSWQCGMAL-RYUDHWBXSA-N	355.420	-1.057	0	40	FAAB	
CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O	36378882	FHNIYFZSHCGBPP-XFDSLHCNSA-N	356.324	-4.743	0	40	FAAB	
O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(CN(CCO)CCO)C1	585283575	AVBQBZAFPPGVIM-AEFFLSMTSA-N	352.431	-1.160	0	40	FAAB	
CN(C)C(=O)CO[C@H](C(=O)N(C)C)[C@@H](OCC(=O)N(C)C)C(=O)N(C)C	17131068	LEBLDRRGDILNAO-OKILXGFUSA-N	374.438	-1.890	0	40	FAAB	
CC(C)O[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O	514287887	WAZVVEWWTPKVME-LMJYAXHXSA-N	366.363	-1.622	0	40	FAAB	biogenic,in-vitro
CNc1ncnc2ncn([C@H]3C[C@@H](NC(=O)CCC(=O)O)[C@@H](O)[C@H]3O)c12	257331018	XRAOPBJPIQUGEV-BCWBERDBSA-N	364.362	-1.116	0	40	FAAB	
CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H](O3)[C@H]2S1(=O)=O	1565556359	RWLUTJGIKOCIGW-RYPNDVFKSA-N	373.475	-1.176	0	40	FAAB	
NC(=O)CNC(=O)[C@]1(O)C[C@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1	3838743	WEIVQWFQHLSOIF-JIWZRMEJSA-N	357.388	-2.305	0	40	FAAB	biogenic,in-vitro
CC1CCN(C(=O)C[C@@H]2O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]2O)CC1	12603623	QLRGIRZQLJMESU-UZGDPCLZSA-N	350.437	-1.327	0	40	FAAB	biogenic,in-vitro
CC(=O)NCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1	575346362	DDAQSNRNVPNZJX-JHZZJYKESA-N	355.343	-1.364	0	40	FAAB	in-vitro
COCC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CN2CCOCC2)nn1	1549160244	BPJSNJHSGARGMP-GZBFAFLISA-N	355.395	-1.999	0	40	FAAB	
NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	13523529	XNSAINXGIQZQOO-QJPTWQEYSA-N	362.390	-1.808	0	40	FAAB	in-man
Cn1c(=O)c2c(ncn2[C@@H]2O[C@H]([C@H](O)C(N)=O)[C@H](O)[C@@H]2O)n(C)c1=O	248013234	FKLZXPBQHYRPLB-LGGPFIHHSA-N	355.307	-4.101	0	40	FAAB	
CN(CC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	575421259	HOEFLSBKZNVTFB-RYUDHWBXSA-N	352.478	-1.207	0	40	FAAB	
COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	4305764	OCTAXAHVUYMHBW-ADVQIIOHSA-N	355.343	-1.204	0	40	FAAB	
O[C@H]1CO[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1NC1CCNCC1	1549162416	UVJMIPAHORWKCQ-GVDBMIGSSA-N	366.466	-1.420	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O	16215134	CRSFLLTWRCYNNX-ZICSKIIJSA-N	370.310	-1.314	0	40	FAAB	biogenic
COC(=O)CNC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1	36353356	JIVVYTYQKSRLOK-LBPRGKRZSA-N	369.399	-1.145	0	40	FAAB	
Cn1c(=O)n(C)c(=O)n(Cc2nc(N)nc(N3CCOCC3)n2)c1=O	41107839	PMDXYIPEUZTELF-UHFFFAOYSA-N	350.339	-3.102	0	40	FAAB	
N=c1nc(O)n([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I	584577633	LQQGJDJXUSAEMZ-VUBPFVNUSA-N	369.115	-1.716	0	40	FAAB	
COCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1	4328831	PJMUMJJNKCZYSK-ZDUSSCGKSA-N	371.415	-1.088	0	40	FAAB	
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1	8740325	AEGXQXAAFKOKMX-IDTAVKCVSA-N	365.394	-2.228	0	40	FAAB	biogenic
O=CN(CCN(C=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	217392591	GONLWBBZUWFJPE-TXEJJXNPSA-N	352.434	-1.723	0	40	FAAB	
NC1=NC(=O)[C@@H]2N=C(Br)N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1	4241806	FKGIRENFNLSWQM-UEMWIJBDSA-N	362.140	-2.886	0	40	FAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	8652713	APLBJDOFALUWBA-AVIDFEGHSA-N	353.784	-1.643	0	40	FAAB	
Cn1c(=O)c2c(ncn2CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)n(C)c1=O	24905353	ZZIVOJLGQCRUTK-AWEZNQCLSA-N	369.403	-1.873	0	40	FAAB	
Nc1nc(F)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	3830850	GIUYCYHIANZCFB-HFXAWCPLSA-N	365.214	-1.724	0	40	FAAB	
O=C(O)[C@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO	13425155	JYTUSYBCFIZPBE-CQUBSWGPSA-N	358.296	-5.669	0	40	FAAB	biogenic,in-vitro
Cn1cc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c(=O)n(C)c1=O	24345331	SEOCDJZWVHOFJX-LLVKDONJSA-N	351.406	-2.061	0	40	FAAB	
O=C(O)CCN1CN2C(=O)N3CN(CCC(=O)O)CN4C(=O)N(C1)C2C34	2228293	YNWDYTBNVAAEFF-UHFFFAOYSA-N	368.350	-1.476	0	40	FAAB	
O=C1CN([C@@H]2CCC[C@@H](NC(=O)CCCn3cncn3)[C@H]2O)CCN1	257227770	FQUPANURVXXGOV-XJKCOSOUSA-N	350.423	-1.112	0	40	FAAB	
O=C(O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@H]12	257771260	ZJDOESGVOWAULF-KBBHXQHDSA-N	374.342	-2.318	0	40	FAAB	endogenous,in-man
CS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21	5665532	AUVGCMLFAQGIGP-DLUYVWRMSA-N	362.433	-1.214	0	40	FAAB	
OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	238731364	WVHRUHMGDQLMBZ-MSCKNZGKSA-N	362.331	-3.687	0	40	FAAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	254771423	MVUGFPZSODNQEX-MBJXGIAVSA-N	370.358	-1.215	0	40	FAAB	
COCC(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643913305	QAPMPWXPYVJVRF-RRCSTGOVSA-N	365.423	-1.878	0	40	FAAB	
CCOC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5807943	RXVANWAGBRZRSN-RFOGZPIASA-N	359.291	-2.966	0	40	FAAB	
O=C(O)CCCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(O)nc2=O)[C@@H](O)[C@@H]1O	257212930	CFLWQNBAQHCDFM-NRMKKVEVSA-N	373.337	-1.116	0	40	FAAB	
O=CN1CCN(C[C@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1	72406232	PLZCKDYFOOUFIL-HOTGVXAUSA-N	374.507	-2.074	0	40	FAAB	
Cc1cn(C[C@H]2OC[C@@H](NC(=O)c3ccoc3)[C@H](O)[C@@H]2O)c(=O)nc1O	2037976905	OMGJULJTEIVTSO-FVCCEPFGSA-N	365.342	-1.230	0	40	FAAB	
CS(=O)(=O)N1CCOC[C@]2(C1)CN(S(=O)(=O)C1CC1)CCO2	96093668	QKOIDPBYTQPTRY-LBPRGKRZSA-N	354.450	-1.159	0	40	FAAB	
CN1CCN(c2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	5395594	XSYVIGUUPQSAET-NFOTXUCKSA-N	350.379	-1.810	0	40	FAAB	
CCOC(=O)CNC(=O)C[C@@H](C(=O)OCC)c1cn(C)c(=O)n(C)c1=O	3844368	MPNNOLMALBFESP-SNVBAGLBSA-N	369.374	-1.200	0	40	FAAB	biogenic
CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	95868079	FHNIYFZSHCGBPP-WVWWQULJSA-N	356.324	-4.743	0	40	FAAB	
O=C(Cn1ccccc1=O)N1C[C@H]2ON=C(C(=O)N3CCOCC3)[C@H]2C1	1565545826	PWYFUUTXEPOLKR-QWHCGFSZSA-N	360.370	-1.080	0	40	FAAB	
O=c1[nH]c(O)nc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	1723969	YLAPSBFYSPSPLA-AJFJRRQVSA-N	363.124	-1.801	0	40	FAAB	
CN1CCN(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1	19289667	OTQAIUGELSIYTP-UHFFFAOYSA-N	366.447	-1.163	0	40	FAAB	
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1	20533355	NYDJNNAFASECJE-UHFFFAOYSA-N	363.422	-1.944	0	40	FAAB	
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	58342771	WCJJULANSOKFRJ-GHMZBOCLSA-N	355.420	-1.050	0	40	FAAB	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ncc(=O)[nH]c1=O	102808679	RWXMBOHMNHIISC-IXOXFDKPSA-N	371.302	-1.745	0	40	FAAB	biogenic
CC(=O)O[C@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	9033111	RWXMBOHMNHIISC-SQNXGDPESA-N	371.302	-1.745	0	40	FAAB	
Cc1cc(O)c(C2(O)C(=O)NC(=O)NC2=O)c(=O)n1Cc1cccnc1	9419689	NXHREYUDHMFQFT-UHFFFAOYSA-N	358.310	-1.141	0	40	FAAB	
CN(C)c1nc(N)nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)n1	23105445	KXJJJUSTEVZVGK-UHFFFAOYSA-N	353.408	-1.020	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575425534	FUUFMUHZTYAVJA-QWHCGFSZSA-N	365.429	-1.164	0	40	FAAB	
CCn1cc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCc3nc[nH]n3)C2)cn1	1289046562	MFNAIYQUTJQVBU-CHWSQXEVSA-N	361.406	-1.116	0	40	FAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760812	HMUIGLOADKXFNT-UFFKNHFXSA-N	361.376	-2.474	0	40	FAAB	
CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CCN)[C@@H](O)[C@H](O)C1)C(N)=O	3838849	UZHXYDPFSWRYPA-HKUMRIAESA-N	356.423	-2.112	0	40	FAAB	biogenic,in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO	5338943	ICCAXRYQUHEHDT-RQJABVFESA-N	350.320	-1.302	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	8817088	JQVIHFVVMMXNPV-OJPPFWEXSA-N	353.335	-2.432	0	40	FAAB	
CC(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)NCCO	84575081	IVAKCYZEIWGJQC-NSHDSACASA-N	360.436	-1.075	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	242701860	WOKJFELXLJKULR-XSEXMBABSA-N	355.343	-1.204	0	40	FAAB	
COC(=O)C[C@@H](NCCCN[C@H](CC(=O)OC)C(=O)OC)C(=O)OC	12403766	GABDBYKEISNXIB-GHMZBOCLSA-N	362.379	-1.235	0	40	FAAB	in-vitro
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)ncn1	257260577	LDLXJLDIVRKRMK-CQSZACIVSA-N	357.436	-1.266	0	40	FAAB	
C[C@H](O)[C@@H](NC(=O)c1cccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)c1)C(=O)O	5919617	TZHYWXAHKUAKIC-IVQVNHIISA-N	368.342	-1.186	0	40	FAAB	
CCN(C(=O)Cn1c(=O)c(C(N)=O)cn(C)c1=O)[C@@H]1CCS(=O)(=O)C1	12997394	SFYAXIMTZUXQRH-SECBINFHSA-N	372.403	-2.319	0	40	FAAB	
O=CN(CCN(C=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	217392526	GONLWBBZUWFJPE-VXGBXAGGSA-N	352.434	-1.723	0	40	FAAB	
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19323149	AAPGTVLJFQIDHP-YIBCYSADSA-N	356.463	-1.114	0	40	FAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	101055176	AQRKTEPLGLVFHX-QELFDELTSA-N	358.435	-2.245	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	5886092	RLJFXPQTJCNTCL-AEHQLWAISA-N	351.363	-1.279	0	40	FAAB	biogenic
C[C@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O	9054571	FUAWIYUTCORVSH-LKFCYVNXSA-N	372.403	-1.280	0	40	FAAB	
C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C[C@@H](C)O1	12541368	MURDUCQADCQVIL-NXEZZACHSA-N	364.406	-1.472	0	40	FAAB	
CC(C)C(=O)N1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1	14187559	MWERWFRXMMQBCU-UHFFFAOYSA-N	351.407	-1.351	0	40	FAAB	
O=C1NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(N3CCCCC3)nc21	253562802	DSLPRQCDUZWKAY-IDTAVKCVSA-N	353.379	-1.654	0	40	FAAB	
O=C(C1CCNCC1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586443	CNOZQUJAQLVAHK-YLFCFFPRSA-N	374.478	-1.151	0	40	FAAB	
CN(C)C(=O)CO[C@H](C(=O)N(C)C)[C@H](OCC(=O)N(C)C)C(=O)N(C)C	5495753	LEBLDRRGDILNAO-KBPBESRZSA-N	374.438	-1.890	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]2O)n(C)c1=O	9975028	FKLZXPBQHYRPLB-WIGMVQFUSA-N	355.307	-4.101	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C12[C@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC	3848633	GLACKWQUYBCIJX-DKXJUACHSA-N	356.283	-1.705	0	40	FAAB	biogenic
CCCCn1c(C(=O)NC[C@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21	11845432	PBNHBJFUNMKIND-JTQLQIEISA-N	352.391	-1.078	0	40	FAAB	
CCO[C@@H]1O[C@H](COC(=O)C[C@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O	514288235	XULLFWPDLIAXGP-JJHZQFDDSA-N	352.336	-2.011	0	40	FAAB	biogenic,in-vitro
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5812917	FMYIGYIGNUAPIW-WCPLEAOBSA-N	358.376	-2.176	0	40	FAAB	
CC(C)CNC(=O)CN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1	22835613	XMHYRNWMBURJPC-UHFFFAOYSA-N	351.451	-1.026	0	40	FAAB	
C[C@@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)c1)C(=O)O	5920604	TZHYWXAHKUAKIC-VNOQCFOKSA-N	368.342	-1.186	0	40	FAAB	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575420979	GYBCJZXJBLUBRQ-OLZOCXBDSA-N	362.429	-1.241	0	40	FAAB	
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1	1597144182	VFBFJOQVAHAEAA-PHIMTYICSA-N	366.418	-1.131	0	40	FAAB	
CN1CCN(c2nc3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	33923630	AEGXQXAAFKOKMX-AGSIJNCFSA-N	365.394	-2.228	0	40	FAAB	
CS(=O)(=O)C[C@H](O)CN1CCN(C[C@@H](O)CS(=O)(=O)O)CC1	71404961	BATRHFPEJHETTP-GHMZBOCLSA-N	360.454	-2.742	0	40	FAAB	
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(S(=O)(=O)C2CC2)CC1	42383951	PWOSTTKGIKYNLH-UHFFFAOYSA-N	356.404	-1.437	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	4417043	JSZJNSUQMVVBLG-GWOFURMSSA-N	350.349	-3.292	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(=O)n(C)c1=O	48302955	XLNGEOYHNJQZHD-SNVBAGLBSA-N	356.404	-1.484	0	40	FAAB	
COC(=O)C[C@H]1[C@H]2[C@@H](C(=O)OC)[C@H](C(=O)OC)ON2O[C@H]1C(=O)OC	102685880	FIJQHCWDUJPIMZ-WAWIWLGASA-N	361.303	-1.401	0	40	FAAB	
CSC[S@](=O)C[C@@H](CO)NC(=O)/C=C\c1c(C)[nH]c(=O)[nH]c1=O	11726799	XKLZIVIOZDNKEQ-HJNBMHBWSA-N	361.445	-1.069	0	40	FAAB	
CCO[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O	514288236	XULLFWPDLIAXGP-KEXGEXHLSA-N	352.336	-2.011	0	40	FAAB	biogenic,in-vitro
COC(=O)[C@H]1C([C@H](O)OC)[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	35189688	NKPXXQQNLMLDTI-BQNUHPOESA-N	362.331	-1.262	0	40	FAAB	
CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)CN2CSCC2=O)CCO1	681944048	RSNIKSFIKNFEIF-LLVKDONJSA-N	359.404	-1.320	0	40	FAAB	
C[C@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O	9054567	FUAWIYUTCORVSH-YMTOWFKASA-N	372.403	-1.280	0	40	FAAB	
Cn1ncc2c(=O)n(CC(=O)N3CCN(S(C)(=O)=O)CC3)cnc21	12890656	AKRFKBIIZNVFKY-UHFFFAOYSA-N	354.392	-1.766	0	40	FAAB	
CC1(C(=O)N2CC3(C2)CS(=O)(=O)[C@@H](CN2CCOCC2)CO3)COC1	2332243029	CTHHAOWFGXBDMH-ZDUSSCGKSA-N	374.459	-1.250	0	40	FAAB	
C[C@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)c1)C(=O)O	5919564	TZHYWXAHKUAKIC-VVJJBPBLSA-N	368.342	-1.186	0	40	FAAB	
NC(=O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	36351100	QFEIGUDKPOXIPM-UHFFFAOYSA-N	362.433	-1.874	0	40	FAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760814	HMUIGLOADKXFNT-VPWVSVFPSA-N	361.376	-2.474	0	40	FAAB	
CNC(=O)[C@@H]1CN(C(=O)CNS(C)(=O)=O)CCN1Cc1ccccc1	257273249	NFVYQSCTXYGBIB-AWEZNQCLSA-N	368.459	-1.005	0	40	FAAB	
CCOC(=O)CNC(=O)C[C@H](C(=O)OCC)c1cn(C)c(=O)n(C)c1=O	3844367	MPNNOLMALBFESP-JTQLQIEISA-N	369.374	-1.200	0	40	FAAB	biogenic
O=C1OCCN1CCN(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O	19848783	JQUQXMFJXIBYML-UHFFFAOYSA-N	352.347	-1.046	0	40	FAAB	
C[C@@]1(O)CCN(C(=O)CC[C@H](N)C(=O)O)C[C@H]1n1ccc(O)nc1=O	257332855	XYZOHGDKTVAWIJ-FEUHOPSXSA-N	354.363	-1.335	0	40	FAAB	
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1	4256767	KIJMKINONVYUTA-SRVKXCTJSA-N	356.423	-1.591	0	40	FAAB	
Cn1c(=O)c2c(nc(CN3CCOCC3)n2C[C@@H](O)CO)n(C)c1=O	20291331	JEAZSKRZCJGCIK-SNVBAGLBSA-N	353.379	-2.381	0	40	FAAB	
C[C@@]1(O)C[C@@H](O)[C@@]2(O)C=CO[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	1077996814	XUWSHXDEJOOIND-CDRIAJDVSA-N	364.347	-3.464	0	40	FAAB	biogenic
C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCC(C)(C)O	31169927	JLSRDVKMJLBROU-ZTIWSPSSSA-N	350.408	-1.339	0	40	FAAB	biogenic,in-vitro
CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21	5665531	AUVGCMLFAQGIGP-KBLHZJELSA-N	362.433	-1.214	0	40	FAAB	
NS(=O)(=O)c1ccc(CCNC(=O)CCn2ccc(=O)[nH]c2=O)cc1	11905150	UJJXMBNMFMICQH-UHFFFAOYSA-N	366.399	-1.067	0	40	FAAB	
NC(=O)CN1CCCN(CC(N)=O)CCN(CC(N)=O)CCCNCC1	22035893	NHUCOLBHAHUYHO-UHFFFAOYSA-N	371.486	-3.268	0	40	FAAB	
C[Sn](C)(n1cnc(=N)nc1O)n1cnc(=N)nc1O	263605367	PQJYAXKMKDHSJF-UHFFFAOYSA-N	370.949	-1.662	0	40	FAAB	
C[C@]1(NC(=O)C(=O)N[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	12600666	SDLWOYXXQFUFJE-TXEJJXNPSA-N	352.434	-1.627	0	40	FAAB	
CCCn1c(N)c(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(=O)n(C)c1=O	12806500	FOKKGUWQVYKPAR-JTQLQIEISA-N	372.447	-1.159	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N(CCO)CCO)cc1	2371971	XRQSNBIYBVIHNX-UHFFFAOYSA-N	359.404	-1.134	0	40	FAAB	
Cn1ncc2c(=O)n(CC(=O)N3CCC4(CC3)NC(=O)NC4=O)cnc21	48261611	UGVRGLKCGOWJCX-UHFFFAOYSA-N	359.346	-1.669	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H]1O	49792507	SOVSEJILHKLDOS-UISLRAPISA-N	367.318	-1.564	0	40	FAAB	
C[C@H](N)C(=O)N[C@]1(C(=O)O)C[C@@H](Sc2ncn[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21	204656781	BBGHHIUQOKQCBW-RZJFFSNSSA-N	355.376	-1.097	0	40	FAAB	
O=C(c1cncnc1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643913332	RIXFVWRVHKGAIT-ZJIFWQFVSA-N	369.418	-1.047	0	40	FAAB	
CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	816563	IADZCPPMQKWPBR-UHFFFAOYSA-N	370.497	-1.232	0	40	FAAB	
O=C(O)CCCC(=O)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257276760	NUZKCMMGFOBVQA-HFOBELJZSA-N	355.347	-1.255	0	40	FAAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)CN3CCCC3)[C@@H](O)[C@@H]2O)c(O)nc1=O	257321615	WCJUBJPWJAUEQU-QHSBEEBCSA-N	366.418	-1.105	0	40	FAAB	
CN(C)C(=O)[C@H]1CN(CC2(O)CCOCC2)CCN(S(C)(=O)=O)C1	2037845747	JLVXSMKSAAQDMQ-ZDUSSCGKSA-N	363.480	-1.191	0	40	FAAB	
Cc1cn(C[C@H]2OC[C@@H](NC(=O)CN(C)C)[C@H](O)[C@@H]2O)c(=O)nc1O	2037976903	NCXDRRHLWMWZFI-VCDKRKBESA-N	356.379	-2.576	0	40	FAAB	
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1	8299031	FSYFHHRBELBEDF-IMJJTQAJSA-N	364.450	-1.224	0	40	FAAB	biogenic,in-vitro
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1	13523524	XNSAINXGIQZQOO-TUAOUCFPSA-N	362.390	-1.808	0	40	FAAB	biogenic,in-man
O=C(CNC(=O)C(=O)NCCc1cccs1)N[C@@H]1CCS(=O)(=O)C1	9691098	JSPGHEWSDHKKAJ-SNVBAGLBSA-N	373.456	-1.174	0	40	FAAB	
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)n1cnc2c1c(=O)n(C)c(=O)n2C	18816493	PAAGVSDAXYKABU-BDAKNGLRSA-N	369.403	-1.702	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4018110	RLJFXPQTJCNTCL-ZMZKGCHWSA-N	351.363	-1.279	0	40	FAAB	biogenic
Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4256216	BNDIZWMKIIMLTJ-UKHPNBTGSA-N	368.350	-2.850	0	40	FAAB	
CCCC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19323279	XZFAHZOLLZVOOP-BMZDUEENSA-N	358.435	-2.245	0	40	FAAB	
OCCOCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1	28218630	BDERUSGNDRZNCU-UHFFFAOYSA-N	354.411	-1.034	0	40	FAAB	
CN1CCN(c2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	5395596	XSYVIGUUPQSAET-LIBKGXAOSA-N	350.379	-1.810	0	40	FAAB	
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	38189408	YSIMTGNFODFMMA-VSKWAHJVSA-N	350.224	-3.261	0	40	FAAB	
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O	61989700	NOAYAAOAAXLNPD-QCMJXSQVSA-N	366.370	-1.619	0	40	FAAB	biogenic
CSCC[C](N)C(=O)N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21	1560410039	UFHPFKBJWLZVLE-GYAIJENASA-N	365.409	-1.703	0	40	FAAB	
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ncc[nH]1)NC(=O)[C@@H]1CCC(=O)N1	5975127	BSAPSHRFTPLHGL-DCAQKATOSA-N	362.390	-1.808	0	40	FAAB	in-vitro
NC1=NC(=O)[C@@H]2N=CN([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)[C@H]2N1	16137456	NXAAPTOGYXDNQU-KTZFPWNASA-N	365.239	-3.975	0	40	FAAB	
Cn1c(=O)c2c(ncn2CC(=O)N[C@]2(C)CCS(=O)(=O)C2)n(C)c1=O	24905364	ZZIVOJLGQCRUTK-CQSZACIVSA-N	369.403	-1.873	0	40	FAAB	
CSc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546015	ZQRNZCAZNTVNPW-NUPWSADLSA-N	359.364	-2.604	0	40	FAAB	
NCCC(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586579	SPXMDUDGNZTVCM-SJXGUFTOSA-N	364.439	-2.176	0	40	FAAB	
CCCCn1c(C(=O)NC[C@@H](O)CO)cc2c(=O)n(C)c(=O)n(C)c21	11845431	PBNHBJFUNMKIND-SNVBAGLBSA-N	352.391	-1.078	0	40	FAAB	
CS(=O)(=O)N1CCN2C[C@H](C(=O)O)CN(c3ncccn3)C[C@@H]2C1	96092131	UKRXQDSWQCGMAL-NWDGAFQWSA-N	355.420	-1.057	0	40	FAAB	
C[C@]1(O)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	105687532	XUWSHXDEJOOIND-YMZRQBTOSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
CN1N=C(O)C(=O)N[C@@H]1SCC1=C(C(=O)O)[C@@H]2C(=O)[C@H](N)[C@H]2SC1	245224555	YQOXEBPMLKJSDG-ICKFKABQSA-N	372.428	-1.041	0	40	FAAB	
COC(=O)C[C@@]1(C(=O)OC)[C@@H](C(=O)OC)[C@H](C(=O)OC)N(C(C)=O)N1C	1578219	GRSJKWUDYYPHJA-HFAKWTLXSA-N	374.346	-1.499	0	40	FAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O	106601085	FVWBNLDRURMYGI-SLSSAEIFSA-N	356.334	-1.137	0	40	FAAB	
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	222352960	MVUGFPZSODNQEX-IKOXMDCHSA-N	370.358	-1.215	0	40	FAAB	
Cn1c(N2CCO[C@@H](C(=O)N3CCSCC3)C2)cc(=O)n(C)c1=O	1888846795	SPBUPDKETMWROB-LLVKDONJSA-N	354.432	-1.135	0	40	FAAB	
Cn1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)c(O)nc1=O	1621708566	LSCAEVTVVZAKKK-UHFFFAOYSA-N	352.394	-2.200	0	40	FAAB	
CSc1nc(O)c(Cl)c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)n1	8652712	APLBJDOFALUWBA-NUPWSADLSA-N	353.784	-1.231	0	40	FAAB	
COCC(=O)NC[C@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1	257339291	ZBCBVQVHFAIXKX-MRXNPFEDSA-N	352.391	-1.136	0	40	FAAB	
C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O	256001330	SHKGHIFSEAGTNL-WCQGTBRESA-N	354.411	-1.517	0	40	FAAB	
Cn1c(N)c(C(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)c(=O)n(C)c1=O	3233053	KOKNRSGUPSCPOL-UHFFFAOYSA-N	351.275	-2.918	0	40	FAAB	
Nc1nc2c(nc(N3CCOCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4256215	BNDIZWMKIIMLTJ-CIPNSKCISA-N	368.350	-2.850	0	40	FAAB	
C[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	39945456	XXAUOPDVAKGRPR-JDDHQFAOSA-N	373.410	-2.563	0	40	FAAB	
CC(=O)Nc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]3O)c2n1	4707856	OJBUNRHBKLMRRO-AQAFXTQQSA-N	354.323	-2.661	0	40	FAAB	
CN(C)C(=O)CN1[C@@H]2CN(Cc3nccn3C)C[C@@H]2OCCS1(=O)=O	1534646927	WRMZUIBPYUYNNW-OLZOCXBDSA-N	371.463	-1.277	0	40	FAAB	
CCOC(=O)C1=C(Cn2cnc3c2c(=O)n(C)c(=O)n3C)NC(=O)NC1	12535762	NBGKGWHMHVNGDC-UHFFFAOYSA-N	362.346	-1.436	0	40	FAAB	
CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(N)=O	6195038	ZWNZLQXCAPIYFE-ZCFIWIBFSA-N	355.376	-1.048	0	40	FAAB	
COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1	31808131	ORNBLWYKECMIBX-SNVBAGLBSA-N	374.419	-1.465	0	40	FAAB	
Cn1c(=O)c2c(ncn2[C@@H]2O[C@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]2O)n(C)c1=O	248013242	FKLZXPBQHYRPLB-MMQYEVHWSA-N	355.307	-4.101	0	40	FAAB	
CN(C(=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	4559426	MWWGVRDHBBLBBI-UWVGGRQHSA-N	352.434	-1.723	0	40	FAAB	
O=C(O)CC[C@H](NC(=O)CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O	225956904	TYEUELXPMRWJMX-KNVOCYPGSA-N	362.291	-1.755	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I	1044267	RKSLVDIXBGWPIS-GCJQMDKQSA-N	370.099	-2.247	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2)[C@@H](O)[C@@H]1O	12655441	HWELQUBQJDDHEY-MIZNUQSBSA-N	372.374	-2.612	0	40	FAAB	biogenic
COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C	5760549	UYULNUFAZCMNPW-HCWSKCQFSA-N	366.168	-1.598	0	40	FAAB	
C[C@@H](O)Cn1c(NCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	23109774	VAYPMTJGDHSJEE-SNVBAGLBSA-N	352.395	-1.452	0	40	FAAB	
Cn1c(=O)[nH]c(=O)c2c1nc(NCCCN1CCOCC1)n2CCO	23109737	JWPFQFBRIBEQIY-UHFFFAOYSA-N	352.395	-1.450	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	36589927	RLJFXPQTJCNTCL-GEEFMHANSA-N	351.363	-1.279	0	40	FAAB	
Cc1cn(CC(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c(=O)[nH]c1=O	95392239	IPHBUDYSNOVZFJ-KRWDZBQOSA-N	363.418	-1.342	0	40	FAAB	
C[C@H](O)C(=O)COC(=O)[C@H](CC(=O)O[C@H](C)C(=O)O)NC(=O)[C@H](C)O	2060999898	ODGGQUKGCIIRQR-MAUMQABQSA-N	363.319	-2.249	0	40	FAAB	
CCCn1c(N)c(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(=O)n(C)c1=O	12806495	FOKKGUWQVYKPAR-SNVBAGLBSA-N	372.447	-1.159	0	40	FAAB	
O=C1CC[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(=O)O)N1	247379034	ITYONPBTNRIEBA-IJLUTSLNSA-N	363.374	-1.209	0	40	FAAB	
Cn1ccnc1[C@@]1(CNC(=O)c2ccc(C(N)=O)cn2)NC(=O)NC1=O	1616035229	SWSYOALSRVOWFE-OAHLLOKOSA-N	357.330	-1.621	0	40	FAAB	
C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(C(=O)CN2CCOCC2)CC1	25319468	CVTCCOBUHKIPCD-ZDUSSCGKSA-N	367.450	-1.161	0	40	FAAB	
CC(C)NC(=O)CNS(=O)(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	58180973	ZBDQBBCHZSOJEH-UHFFFAOYSA-N	369.403	-1.565	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4257483	JQVIHFVVMMXNPV-DTITTZBUSA-N	353.335	-2.432	0	40	FAAB	biogenic
CN1CCN(c2nc3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	16035857	AEGXQXAAFKOKMX-ZMZKGCHWSA-N	365.394	-2.228	0	40	FAAB	
COCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	16021942	GIVLVIPUHAZCDS-KTMFAHBVSA-N	372.381	-1.071	0	40	FAAB	
Cn1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c1=O	12647508	BFAULXXTDIBDFC-UHFFFAOYSA-N	374.400	-1.468	0	40	FAAB	
Cn1c(=O)c2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)cnc2n(C)c1=O	22879657	VYMUCFFTXUMGIR-HNNXBMFYSA-N	366.399	-1.061	0	40	FAAB	
CC(=O)Nc1ccc(C(=O)O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	503990824	UMTXIFPCUCHZHQ-OVKLUEDNSA-N	355.299	-1.306	0	40	FAAB	
CCS(=O)(=O)NCCNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	106057296	STEHQTBGLNSXBO-YRRQLQLVSA-N	355.416	-1.151	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	216303156	VPAYRDIKCLRDTG-JHZZJYKESA-N	371.342	-1.284	0	40	FAAB	
COC(=O)C(=O)[C@H](C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O	102979496	NZDBOPVVNCJSDC-SECBINFHSA-N	350.283	-1.176	0	40	FAAB	
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	257345365	YSIMTGNFODFMMA-IJCMWECSSA-N	350.224	-3.261	0	40	FAAB	
CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(N)ncnc21	4707694	POHUCFSWYVMLKP-BUXRITGLSA-N	359.408	-1.904	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)cc1	242701861	WOKJFELXLJKULR-XYFZXANASA-N	355.343	-1.204	0	40	FAAB	
Nc1ncnc2c1c1c(=O)[nH]c(=O)[nH]c1n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5390313	PCAZZGMLVCFODV-MQQQIBFLSA-N	350.291	-2.845	0	40	FAAB	
CCOC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5807944	RXVANWAGBRZRSN-PRKAOEEVSA-N	359.291	-2.966	0	40	FAAB	
O=C(O)CN1C(=O)N[C@@H]2O[C@@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@H]21	102754522	JXEBQWMUDMAGTM-ZXEGLVKPSA-N	374.262	-2.744	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	257347511	KCLZXOUVOULMDP-BGNCJLHMSA-N	370.358	-2.171	0	40	FAAB	
Cn1cc(S(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)c(=O)n(C)c1=O	517027613	RXHAADKQNCEWKA-SECBINFHSA-N	358.420	-1.238	0	40	FAAB	
Nc1nc2c(nc(SCC(=O)O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	3958669	NCELYEUIJBVZHF-MZLRFAPHSA-N	373.347	-2.510	0	40	FAAB	
C[C@@H](O)Cn1c(NCCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	23704149	WKFQPMAZIMGBHN-LLVKDONJSA-N	366.422	-1.062	0	40	FAAB	
CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)N(C)C)CC2)CC1	48301283	ABRMVJAZJRZRBE-CQSZACIVSA-N	361.512	-1.037	0	40	FAAB	
COc1cc(/C=C/CO)cc(OC)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1552080	QJVXKWHHAMZTBY-VKAIBYOUSA-N	372.370	-1.112	0	40	FAAB	
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O	12603867	XYWXHKGYIRMUAS-LQKXBSAESA-N	357.451	-1.150	0	40	FAAB	biogenic,in-vitro
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C	5760744	YMYAQYLZWWRCIC-DPWWFHJDSA-N	351.743	-2.346	0	40	FAAB	
CSC[S@](=O)C[C@@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O	11726800	XKLZIVIOZDNKEQ-FWCPINHQSA-N	361.445	-1.069	0	40	FAAB	in-man
CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	35636129	YSVYPLBRZMVZJE-OMFBKNIMSA-N	367.351	-4.226	0	40	FAAB	
O=C(C(=O)N1CCN(C2CC2)C(=O)C1)N1CCC(N2CC[C@@H](O)C2)CC1	658578925	IDTFNCJMCMGLNU-OAHLLOKOSA-N	364.446	-1.123	0	40	FAAB	
C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	25628240	XXAUOPDVAKGRPR-SQXHDICFSA-N	373.410	-2.563	0	40	FAAB	
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	64479802	GIUYCYHIANZCFB-GFRUICAKSA-N	365.214	-1.724	0	40	FAAB	biogenic,in-vitro
CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)COCC(=O)O)C2)C1	952844928	UPSNVGMYPBXBIM-CYBMUJFWSA-N	369.418	-1.132	0	40	FAAB	biogenic,in-vitro
CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5544830	HBXJYTFPZSYZAQ-WCPLEAOBSA-N	360.323	-4.191	0	40	FAAB	
O=C(O)[C@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	4095838	IGSYEZFZPOZFNC-MMGXBETBSA-N	370.263	-5.213	0	40	FAAB	in-vitro
O=C(NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cnccn1	72405718	DMLFCNQCWCYMQS-GFCCVEGCSA-N	367.431	-1.462	0	40	FAAB	
CC1(C)NC(=O)N(CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)C1=O	257320640	VXSDCPJWKHOGEX-INIZCTEOSA-N	354.407	-1.388	0	40	FAAB	
O=S1(=O)C[C@H](O)[C@@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1	575421450	IMJAFCLIRSBOSM-RYUDHWBXSA-N	353.393	-1.033	0	40	FAAB	
C[C@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@H]1O	5640666	HTWIJVQWHZWTDC-DVYSRPGGSA-N	355.307	-3.171	0	40	FAAB	
Cn1cnc2c1c(=O)n(Cc1nc(N)nc(N3CCOCC3)n1)c(=O)n2C	1087824	BTGCPHOOCKBNBW-UHFFFAOYSA-N	373.377	-1.914	0	40	FAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1	242701759	WOKJFELXLJKULR-WZYWGQKZSA-N	355.343	-1.204	0	40	FAAB	
CO[C@@H]1CO[C@H]2[C@@H](O)[C@H](Cc3cnc(O)nc3O)O[C@@H]2[C@@H]1NC(N)=O	725239885	ANZPJAOHZCARFM-XVWDQHCBSA-N	356.335	-1.991	0	40	FAAB	in-vitro
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O	4544767	CRSFLLTWRCYNNX-RPHDFDQUSA-N	370.310	-1.314	0	40	FAAB	biogenic,in-vitro
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccncc3)C2)C1=O	225383215	RZPUDKXHLHWUBB-KGLIPLIRSA-N	374.397	-1.387	0	40	FAAB	biogenic,in-vitro
C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	4102143	DSXFHNSGLYXPNG-PKUPRILXSA-N	360.359	-1.210	0	40	FAAB	biogenic,in-vitro
CC(C)[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCOCC1	25373989	LIONWVHLHMNJDU-GFCCVEGCSA-N	374.463	-1.281	0	40	FAAB	
Nc1nc2c(nc(N3CCNCC3)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	12082306	RLUMDLMWJCRUQP-WJOUQXRDSA-N	367.366	-3.277	0	40	FAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1=O	225383121	UTRRJPXXIVHXJP-KGLIPLIRSA-N	374.397	-1.387	0	40	FAAB	biogenic,in-vitro
COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1	257339290	ZBCBVQVHFAIXKX-INIZCTEOSA-N	352.391	-1.136	0	40	FAAB	
O=C(NCCCN1CCC(O)CC1)C(=O)NCCCN1CCC(O)CC1	40152971	ZCBKZIVRKAPLKP-UHFFFAOYSA-N	370.494	-1.088	0	40	FAAB	
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]([C@H](CO)C(=O)O)CC1	49601640	IVUFRBWVXKXZMM-KSKFLYNSSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	61989702	NOAYAAOAAXLNPD-ONWRSVGYSA-N	366.370	-1.619	0	40	FAAB	biogenic
O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	4532647	KCLZXOUVOULMDP-YADOHIMWSA-N	370.358	-2.171	0	40	FAAB	
C[C@@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@@H]1O	5640668	HTWIJVQWHZWTDC-HMOKDFKSSA-N	355.307	-3.171	0	40	FAAB	
CC(C)[C@@H](N)C(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643551406	JSSUJTJSUFHQKO-OXGONZEZSA-N	362.467	-1.168	0	40	FAAB	
CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1	4256766	KIJMKINONVYUTA-TUAOUCFPSA-N	356.423	-1.591	0	40	FAAB	
COC(=O)[C@H]1[C@H](C(=O)OC)C([C@@H](O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	5675280	NKPXXQQNLMLDTI-NQFSZNJGSA-N	362.331	-1.262	0	40	FAAB	
NC(=O)CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2C1=O	5433692	FZNLLFPWNGACNH-NSHDSACASA-N	352.372	-1.191	0	40	FAAB	biogenic,in-vitro
CN(CC(=O)N1CCS(=O)(=O)CCO1)S(=O)(=O)c1cccnc1	1289826754	AMKNWAUIWQEEEL-UHFFFAOYSA-N	363.417	-1.109	0	40	FAAB	
COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1OC	36374591	QRWNMJBTANFMHA-OSXOSPNDSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C	5760550	UYULNUFAZCMNPW-FJGDRVTGSA-N	366.168	-1.598	0	40	FAAB	
CCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n[nH]c1=O	8726831	HYOHJISWLHYUHX-UHFFFAOYSA-N	354.392	-1.064	0	40	FAAB	
COCCN1C(=O)C(=O)N(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1=O	12810195	AFRAXNGSLOTNPN-UHFFFAOYSA-N	367.318	-2.714	0	40	FAAB	
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	77269549	YSVYPLBRZMVZJE-ODBQVQDTSA-N	367.351	-4.226	0	40	FAAB	in-vitro
COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O	4305761	DHSJSCKOXMSVNH-RBZJEDDUSA-N	355.343	-1.170	0	40	FAAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1	3872741	ZDPUTNZENXVHJC-HAVMAKPUSA-N	363.223	-2.570	0	40	FAAB	in-vitro,metabolite
CC(=O)Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1	4892662	XVIFZZGCCJWHHU-OTJKEOIZSA-N	354.359	-1.033	0	40	FAAB	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I	3586101	XQFRJNBWHJMXHO-ACZMJKKPSA-N	354.100	-1.218	0	40	FAAB	biogenic,in-vitro
Cn1cnn(CC(=O)OCCCOC(=O)Cn2ncn(C)c2=O)c1=O	95466546	LYSAIWNFMQABAY-UHFFFAOYSA-N	354.323	-2.346	0	40	FAAB	
COC(=O)C[C@@]1(C(=O)OC)[C@H](C(=O)OC)[C@@H](C(=O)OC)N(C(C)=O)N1C	5707264	GRSJKWUDYYPHJA-PGUXBMHVSA-N	374.346	-1.499	0	40	FAAB	
O=C(O)CC[C@H](NC(=O)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	217513646	TYEUELXPMRWJMX-BQBZGAKWSA-N	362.291	-1.755	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OCc1ccccc1	5811008	ACWJNEMMZVDODA-XFMPKHEZSA-N	350.327	-1.273	0	40	FAAB	
c1c(CN2CCNCCNCC2)n[nH]c1CN1CCNCCNCC1	68606315	LIKDWGADZYVEGP-UHFFFAOYSA-N	350.515	-1.601	0	40	FAAB	
CC(=O)NC[C@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1	257208691	BNFPZTSSOXUIFL-MRXNPFEDSA-N	351.407	-1.056	0	40	FAAB	
C[C@H](CO)SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	504173142	QFCICQXODPSLQK-IWSPIJDZSA-N	365.408	-2.022	0	40	FAAB	
O=C1CC[C@@H](C(=O)N2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C2)N1	643586450	DDVBGPSWWIUMGB-QZPUYBJASA-N	374.434	-1.872	0	40	FAAB	
CN(CCO)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)O	9307890	BOTMMFMPSATKNZ-MWLCHTKSSA-N	358.438	-2.140	0	40	FAAB	
CN(CC(=O)NCc1ccco1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	58146674	LLWVPMFAMOWRNV-UHFFFAOYSA-N	363.374	-1.310	0	40	FAAB	
O=C(NC[C@]1(O)COCCN(C(=O)C2CCNCC2)C1)c1cnco1	257232705	GMAJREWDRYMXFJ-MRXNPFEDSA-N	352.391	-1.006	0	40	FAAB	
COC(=O)CS(=O)(=O)C1CCN(C(=O)Cn2ncccc2=O)CC1	585302192	SWKBBTSODGWVKK-UHFFFAOYSA-N	357.388	-1.178	0	40	FAAB	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO	5338946	ICCAXRYQUHEHDT-SYQHCUMBSA-N	350.320	-1.302	0	40	FAAB	
CN1CCN(C(=O)CN(C)C[C@H](O)CN2C(=O)C(C)(C)N=C2O)CC1	71283042	BAPNIBXYSHTHEO-LBPRGKRZSA-N	355.439	-1.412	0	40	FAAB	
O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1	77285163	LTGOIJNQWZWJRF-ZYZFHZPYSA-N	356.283	-1.239	0	40	FAAB	endogenous,in-man
C[C@]1(O)CC[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	223569229	VSKORLRIJDSSSC-ASPOREHYSA-N	364.347	-3.115	0	40	FAAB	
CS(=O)(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CN2CCOCC2)nn1	1549160502	FJLHXJWEHBKFIM-YNEHKIRRSA-N	361.424	-2.212	0	40	FAAB	
Cn1cc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c(=O)n(C)c1=O	15365823	HNSIDYYTPMQOQS-UHFFFAOYSA-N	364.343	-1.173	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@H](O)[C@@H]1O	218850130	SOVSEJILHKLDOS-PNMMZTQSSA-N	367.318	-1.564	0	40	FAAB	
C[C@@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1)C(=O)O	5920602	YMOZUVAVEMAUOG-VNOQCFOKSA-N	368.342	-1.186	0	40	FAAB	
CN(CCO)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)O	9307889	BOTMMFMPSATKNZ-KOLCDFICSA-N	358.438	-2.140	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4011869	AUFUWRKPQLGTGF-VZZFWQQMSA-N	370.314	-1.140	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	1319228	AUFUWRKPQLGTGF-RUZUBIRVSA-N	370.314	-1.140	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)C[C@@H](CNC(=O)CCC(=O)O)[C@H]1O	257315617	VCDRZNAPSJRYLW-GYBADROVSA-N	364.362	-1.328	0	40	FAAB	
Cn1cnc(C(=O)N2CCN3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)n1	1565549021	LQSDFSLYDUYZDS-NSHDSACASA-N	371.405	-1.189	0	40	FAAB	
Cn1c(N2CCO[C@H](C(=O)N3CCSCC3)C2)cc(=O)n(C)c1=O	1888846796	SPBUPDKETMWROB-NSHDSACASA-N	354.432	-1.135	0	40	FAAB	
C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(C)(=O)=O)CC1	14121134	FREGOQQHHGFLIL-WDEREUQCSA-N	353.466	-1.745	0	40	FAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1=O	225383251	YNLZSMONZTVONC-OLZOCXBDSA-N	367.402	-1.803	0	40	FAAB	biogenic,in-vitro
CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)N(C)C)CC2)CC1	48301284	ABRMVJAZJRZRBE-AWEZNQCLSA-N	361.512	-1.037	0	40	FAAB	
CS(=O)(=O)N1CCN2C[C@@H](C(=O)O)CN(c3ncccn3)C[C@@H]2C1	247545420	UKRXQDSWQCGMAL-VXGBXAGGSA-N	355.420	-1.057	0	40	FAAB	
CC(=O)Nc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	4892669	IWCWSRODNPRNLK-CQJMVSDSSA-N	354.359	-1.033	0	40	FAAB	
O=C1[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(CCO)C(=O)[C@H]45)[C@H]3[C@H]2C(=O)N1CCO	100571028	NNCBLLLMELTIGX-XHMZBVFUSA-N	360.366	-1.765	0	40	FAAB	
O=C(O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12	85643888	ZJDOESGVOWAULF-OVTVVCSCSA-N	374.342	-2.318	0	40	FAAB	endogenous,in-man
C[C@@]1(O)CCN(C(=O)CN2CCOCC2)C[C@H]1n1ccc(O)nc1=O	257205431	AYZVYNIFWCGAIV-MLGOLLRUSA-N	352.391	-1.195	0	40	FAAB	
C[C@H](O)[C@H](N1CCN([C@H]([C@@H](C)O)S(=O)(=O)O)CC1)S(=O)(=O)O	256068870	KGOOEFUPVFKRHJ-FIRGSJFUSA-N	362.426	-2.207	0	40	FAAB	
CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(OC)cc1	4328798	YQIBVMFBNVYANE-GFCCVEGCSA-N	357.388	-1.096	0	40	FAAB	
C[C@@]1(O)CN(C(=O)[C@H](N)CCCCN)CC[C@H]1n1ccc(O)nc1=O	257231674	GHTSDWLDEBUYQN-XHBSWPGZSA-N	353.423	-1.070	0	40	FAAB	
CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccn(CCOC)n3)C2)CN1C	575404121	LQLORIHUNWDJKG-ZDUSSCGKSA-N	351.407	-1.199	0	40	FAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	3073318	RQFCJASXJCIDSX-HFXAWCPLSA-N	363.223	-2.570	0	40	FAAB	biogenic,in-vitro
CN1CCN(c2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	5395597	XSYVIGUUPQSAET-XDYICZGBSA-N	350.379	-1.810	0	40	FAAB	
Nc1nc2c(nc(N3CCNCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	103168069	RLUMDLMWJCRUQP-WOUKDFQISA-N	367.366	-3.277	0	40	FAAB	
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]([C@H](CO)C(=O)O)CC1	253532179	IVUFRBWVXKXZMM-WQKPTCQYSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1	306130650	JMGNBVNVKPBDPH-NSHDSACASA-N	351.454	-1.015	0	40	FAAB	
C[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O	5495961	VLAFRQCSFRYCLC-FXQIFTODSA-N	362.339	-3.639	0	40	FAAB	
CCNC(=S)N1CCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1	1406399	QNJQOFOKROVNCP-UHFFFAOYSA-N	351.436	-1.023	0	40	FAAB	
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O	2566037	HEYZWPRKKUGDCR-GNTXERDESA-N	374.342	-2.477	0	40	FAAB	
CCS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(N)ncnc21	4707692	POHUCFSWYVMLKP-OXBUZNFYSA-N	359.408	-1.904	0	40	FAAB	
CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5544824	HBXJYTFPZSYZAQ-JFEMGPMLSA-N	360.323	-4.191	0	40	FAAB	
O=C(O)[C@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	13425154	JYTUSYBCFIZPBE-GAROCXPTSA-N	358.296	-5.669	0	40	FAAB	biogenic,in-vitro
CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O	4994344	WVDINDKKBLECNG-APWOSFEXSA-N	350.393	-2.467	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	101255696	OXTYJSXVUGJSGM-CEHQXXPXSA-N	353.335	-1.674	0	40	FAAB	biogenic
CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575420980	GYBCJZXJBLUBRQ-QWHCGFSZSA-N	362.429	-1.241	0	40	FAAB	
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	4533885	XXAUOPDVAKGRPR-WYCDGMCDSA-N	373.410	-2.563	0	40	FAAB	in-vitro
CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	65356746	FHNIYFZSHCGBPP-OVGWDEKYSA-N	356.324	-4.743	0	40	FAAB	in-vitro
CNC(=O)SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	5883758	ROWIKVIWEBGFSY-RNFRBKRXSA-N	364.380	-2.063	0	40	FAAB	
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	13508664	WOKXHOIRHHAHDA-ZEEOCKJESA-N	356.324	-4.743	0	40	FAAB	in-vivo
C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O	4899726	SHKGHIFSEAGTNL-DLOVCJGASA-N	354.411	-1.517	0	40	FAAB	
COC(=O)C[C@@]1(C(=O)OC)[C@@H](C(=O)OC)[C@@H](C(=O)OC)N(C(C)=O)N1C	5707265	GRSJKWUDYYPHJA-ZETOZRRWSA-N	374.346	-1.499	0	40	FAAB	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575420982	GYBCJZXJBLUBRQ-STQMWFEESA-N	362.429	-1.241	0	40	FAAB	
C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)CO	71789746	GOSWTRUMMSCNCW-GPTCUSJASA-N	351.363	-1.212	0	40	FAAB	in-vitro
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O	100643700	FVWBNLDRURMYGI-DEHUOKPOSA-N	356.334	-1.137	0	40	FAAB	
Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C(=O)C3CC3)CC1)c(=O)n2C	12560326	ZZNDTLOYKIKGQJ-UHFFFAOYSA-N	374.401	-1.486	0	40	FAAB	
O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCS(=O)(=O)C1	8880771	PJBMRTQGBXLNCL-SECBINFHSA-N	369.355	-1.126	0	40	FAAB	
COc1ccc(/C=C/C(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	31155500	FQWZGEBZILOCET-BJGSYIFTSA-N	356.327	-1.028	0	40	FAAB	biogenic,in-vitro
NC(=O)CNC(=O)[C@]1(O)C[C@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1	3838737	SOFKNPJWARYBQE-IQDSPRDJSA-N	372.422	-2.165	0	40	FAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I	4897033	RKSLVDIXBGWPIS-SKHQTKALSA-N	370.099	-2.247	0	40	FAAB	
COc1cc2ncn(CC(=O)NCC(=O)NCCO)c(=O)c2cc1OC	20761038	NNVPUZHHJRXSDP-UHFFFAOYSA-N	364.358	-1.362	0	40	FAAB	biogenic
Cn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccccc2)c(=O)n(C)c1=O	3234210	HYTMLVLOUXUQQJ-UHFFFAOYSA-N	374.353	-1.178	0	40	FAAB	
Cn1nnnc1SCC(=O)NCCn1nc(-n2cccn2)ccc1=O	75162981	OTTZESAUDQVHCY-UHFFFAOYSA-N	361.391	-1.139	0	40	FAAB	
CC(=O)NCC(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1	257297596	RHZLPUYZDUADOF-CQSZACIVSA-N	356.404	-1.401	0	40	FAAB	
CNC(=O)[C@H]1CN(C(=O)CNS(C)(=O)=O)CCN1Cc1ccccc1	257273250	NFVYQSCTXYGBIB-CQSZACIVSA-N	368.459	-1.005	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	3830257	QQOBRRFOVWGIMD-ZBAXXZLZSA-N	371.302	-1.745	0	40	FAAB	
O=C([C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12)N1CCC(O)CC1	257250672	JNMSELVFDWZZRT-CBIDHWNRSA-N	362.404	-3.303	0	40	FAAB	
CC(=O)Nc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	5152238	IWCWSRODNPRNLK-OXGONZEZSA-N	354.359	-1.033	0	40	FAAB	biogenic
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	101055173	AQRKTEPLGLVFHX-DFHCBOBTSA-N	358.435	-2.245	0	40	FAAB	
CNCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCCNC(C)=O)nn1	8299075	IRPFARSCYZHWSG-BMFZPTHFSA-N	363.466	-1.040	0	40	FAAB	biogenic,in-vitro
CNCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCCNC(C)=O)nn1	8299078	IRPFARSCYZHWSG-IMJJTQAJSA-N	363.466	-1.040	0	40	FAAB	biogenic,in-vitro
COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC	15251354	QRWNMJBTANFMHA-ZWEPEPIOSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
Cn1nc(O)c(=O)nc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1	16027484	YTUNICCSPPTMJY-FWOIEVBISA-N	371.400	-1.446	0	40	FAAB	biogenic,in-vitro
COCCN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	20548391	GIVLVIPUHAZCDS-MHMFGPJMSA-N	372.381	-1.071	0	40	FAAB	
Cn1nnnc1SC(C(=O)N1CCOCC1)C(=O)N1CCOCC1	16363627	TXNYHGNAVBCERQ-UHFFFAOYSA-N	356.408	-1.612	0	40	FAAB	
Nc1nc2c(nc(Br)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4012916	ASUCSHXLTWZYBA-WCHFOYDZSA-N	362.140	-1.924	0	40	FAAB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1CCO)[C@H]1[C@H]2C(=O)N(CCO)C(=O)[C@@H]2[C@H]31	101847901	NNCBLLLMELTIGX-YANAWEQGSA-N	360.366	-1.765	0	40	FAAB	
COC(=O)c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342017	OCTAXAHVUYMHBW-AQRJEWBLSA-N	355.343	-1.204	0	40	FAAB	
Cn1c(=O)c2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cnc2n(C)c1=O	22879664	VYMUCFFTXUMGIR-OAHLLOKOSA-N	366.399	-1.061	0	40	FAAB	
COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575425889	IOUOCABXCYGJNA-CHWSQXEVSA-N	364.445	-1.279	0	40	FAAB	
O=C1NC=N[C@@H]2[C@@H]1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1O	257345364	YSIMTGNFODFMMA-DLQLMRGSSA-N	350.224	-3.261	0	40	FAAB	
O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	48299321	OZPMHAGLIKNRMR-UHFFFAOYSA-N	371.419	-1.979	0	40	FAAB	
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19327778	AAPGTVLJFQIDHP-RJDCIFIZSA-N	356.463	-1.114	0	40	FAAB	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C12[C@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC	3848629	GLACKWQUYBCIJX-YHRILZAWSA-N	356.283	-1.705	0	40	FAAB	biogenic
C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO	13524330	GOSWTRUMMSCNCW-BAJUWZQUSA-N	351.363	-1.212	0	40	FAAB	in-vitro
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CCc1ccccn1	20465848	MTCXZACNSIBIOC-YQFWSFKMSA-N	353.419	-1.192	0	40	FAAB	biogenic,in-vitro
COC(=O)C[C@@H](C(=O)OC)N1CCN([C@H](CC(=O)OC)C(=O)OC)CC1	22873553	FRJXLAXGIQPDLI-TXEJJXNPSA-N	374.390	-1.187	0	40	FAAB	
CN1CCC(N2C[C@@H]3OCCS(=O)(=O)N(CC(=O)N(C)C)[C@@H]3C2)CC1	1534645782	CJPPSIHGWZIBMX-CABCVRRESA-N	374.507	-1.116	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)CCC2=O)cc1	3118078	DXRMABNEBCIDKD-UHFFFAOYSA-N	369.355	-1.035	0	40	FAAB	
Nn1c(Cn2c[n+](N[N+](=O)[O-])cn2)nnc1Cn1c[n+](N[N+](=O)[O-])cn1	12360723	WSRKMTPHYIBDDF-UHFFFAOYSA-N	368.278	-4.473	0	40	FAAB	
C[C@]1(O)C[C@@H](O)CN(C(=O)CCN)C[C@@H]1n1cnc2c(N)nc(N)nc21	257291382	QGSGMMFEGFWVTE-OLBFVZFUSA-N	364.410	-1.775	0	40	FAAB	
CC(=O)Nc1ccc(NC(C)=O)c(N[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c1	3998979	FSQKTXGKIAMOHZ-OXGONZEZSA-N	369.374	-1.185	0	40	FAAB	biogenic
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2N1S(C)(=O)=O	96182871	YVXMHIXWKXOUDZ-JLLWLGSASA-N	353.404	-1.303	0	40	FAAB	
O=c1[nH]c(O)nc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	4786918	YLAPSBFYSPSPLA-VCAJRUBLSA-N	363.124	-1.801	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5492479	OTQJVHISAFFLMA-NOOOWODRSA-N	370.318	-1.456	0	40	FAAB	in-vitro
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	19990545	JQVIHFVVMMXNPV-ZRPKBAQZSA-N	353.335	-2.432	0	40	FAAB	
CO[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21	83290851	RPULCYXEYODQOG-XPXLTNGVSA-N	367.362	-1.020	0	40	FAAB	
Nc1nc(O)c2nc(N3CCCC3)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	105370136	TXVWMZVTUGZJQK-IQEPQDSISA-N	352.351	-1.674	0	40	FAAB	
O=C(O)CCC(=O)N[C@@H]1C[C@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O	257217052	CXFMSJJLVMJIRV-QTXBENEDSA-N	351.319	-1.452	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1	11905809	CLAUOUNTWUDWNC-UHFFFAOYSA-N	357.373	-1.164	0	40	FAAB	
O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C[C@@H](O)Cn2cccn2)CC1	51502342	KBXUOMPSLZRESW-UONOGXRCSA-N	356.448	-1.177	0	40	FAAB	
C[C@]1(O)C[C@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	139919247	XUWSHXDEJOOIND-VOAFIZDZSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccccc1	20464810	BABXRCWGRWZVLN-FXUDXRNXSA-N	372.443	-1.214	0	40	FAAB	biogenic,in-vitro
NC(=O)CNC(=O)C1=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H](O)C1	3840037	IRHWXFHFMDFBCO-YRGRVCCFSA-N	366.349	-1.031	0	40	FAAB	biogenic,in-vitro
CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCCN(C(C)=O)CC2)[C@@H]1O	514289574	VMTSAWQJHWGWHT-SOUVJXGZSA-N	363.480	-1.002	0	40	FAAB	biogenic,in-vitro
Cn1cc(S(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2=O)c(=O)n(C)c1=O	517027614	RXHAADKQNCEWKA-VIFPVBQESA-N	358.420	-1.238	0	40	FAAB	
O=S1(=O)C[C@@H](O)[C@@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1	575421448	IMJAFCLIRSBOSM-NWDGAFQWSA-N	353.393	-1.033	0	40	FAAB	
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2OP(=O)(O)O)c(=O)[nH]1	13544948	WTIFIAZWCCBCGE-FTWQFJAYSA-N	363.223	-2.570	0	40	FAAB	biogenic,in-vitro
CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	25269260	DSUPKOOCOADAAT-UHFFFAOYSA-N	354.388	-1.717	0	40	FAAB	
C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	25971886	YVWAIVLJDDPSPI-MRVPVSSYSA-N	368.390	-1.057	0	40	FAAB	
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	39029369	WOKXHOIRHHAHDA-ZIKIEBHGSA-N	356.324	-4.743	0	40	FAAB	in-vitro
CN(C)C(=O)[C@@H]1CN(CC2(O)CCOCC2)CCN(S(C)(=O)=O)C1	2037845746	JLVXSMKSAAQDMQ-CYBMUJFWSA-N	363.480	-1.191	0	40	FAAB	
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1	257231504	GGZQSERBCVTUHU-VXGBXAGGSA-N	358.372	-1.116	0	40	FAAB	
CNCc1cn(C[C@H]2O[C@@H](CC(=O)N3CCOCC3)[C@H](O)[C@@H]2O)nn1	8643718	HAYFMKCVKJWRMJ-MYZSUADSSA-N	355.395	-2.264	0	40	FAAB	biogenic,in-vitro
CCS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1	48310496	IRHULUDKAZRHKE-JTQLQIEISA-N	360.479	-1.529	0	40	FAAB	
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	2099773	AEGXQXAAFKOKMX-RTOGKPCTSA-N	365.394	-2.228	0	40	FAAB	biogenic
Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2N)c(=O)n(C)c1=O	9128173	GMCXIBQWIQZMSM-UHFFFAOYSA-N	351.392	-1.176	0	40	FAAB	
NCCN1CCCN(CCN)CCN(CCN)CCCN(CCN)CC1	68604779	WNVLJULAXHXKFL-UHFFFAOYSA-N	372.606	-2.177	0	40	FAAB	biogenic
CN(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CN1C(=O)C(=O)c2ccccc21	4974917	YSNPVVWWGFVZSO-RJZRQDKASA-N	354.359	-2.459	0	40	FAAB	
COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O	43465401	CRSFLLTWRCYNNX-UPTGJPKQSA-N	370.310	-1.314	0	40	FAAB	biogenic
CCOC(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	11025538	BAIJRXIAMFKDGL-UHFFFAOYSA-N	360.392	-1.453	0	40	FAAB	
OCC1=CC[C@H]2C=CO[C@@H](O[C@H]3O[C@](O)(CO)C(O)(O)[C@H](O)[C@H]3O)[C@@H]12	5133307	SSYXHGGOPFIYJV-RBYGLIKESA-N	362.331	-3.132	0	40	FAAB	
CC(C)CCn1c(NCCO)nc2c1c(=O)n(CC(N)=O)c(=O)n2C	5252201	IVWAGNPSRWKSJN-UHFFFAOYSA-N	352.395	-1.168	0	40	FAAB	
C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CCC(C)(C)O	31169924	JLSRDVKMJLBROU-YITKOMKRSA-N	350.408	-1.339	0	40	FAAB	biogenic,in-vitro
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)C[C@@H](NC(=O)CCCC(=O)O)[C@H]1O	257325760	WUHJDQMVBGTWEV-PTYMLPSESA-N	364.362	-1.185	0	40	FAAB	
CN(CCO)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	9307887	BOTMMFMPSATKNZ-ONGXEEELSA-N	358.438	-2.140	0	40	FAAB	
NCCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	575420347	BBMLQBNPNWDZRU-NEPJUHHUSA-N	352.409	-1.067	0	40	FAAB	
CNC(=O)[C@H]1COC2(CN(C(=O)c3ccn(CCOC)n3)C2)CN1C	575404120	LQLORIHUNWDJKG-CYBMUJFWSA-N	351.407	-1.199	0	40	FAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C	5760752	IETAPPVDKJBWJC-DPWWFHJDSA-N	367.811	-1.633	0	40	FAAB	
CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@@H]1O[C@H](n1ccc(=O)[nH]c1=O)[C@@H]2OC(C)=O	8738368	BEUXJRKCYAGSPH-LVEVGFFFSA-N	354.271	-1.777	0	40	FAAB	biogenic,in-vitro
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CCC(=O)O)[C@@H](O)[C@H]1O	257317602	VKLOTXYEYKUKAX-BCWBERDBSA-N	364.362	-1.116	0	40	FAAB	
C[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)S(C)(=O)=O	47913255	PTXPLAOHJWOHSN-NSHDSACASA-N	361.420	-2.051	0	40	FAAB	
CO[C@@H]1O[C@H](Nc2nc(SC)[nH]c(=O)c2C(C)=O)[C@H](O)[C@H](O)[C@@H]1O	5544783	LFKCKUHWAUHWEJ-AUUKMSBNSA-N	361.376	-1.482	0	40	FAAB	
OC[C@@H]1N[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	5889023	VCIPQQCYKMORDY-LHIRGUENSA-N	355.340	-5.782	0	40	FAAB	
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	77269557	BSNVYGSAFLBSSQ-WJPNBSDDSA-N	367.351	-4.226	0	40	FAAB	in-vitro
C[C@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@H](C)O)cc1)C(=O)O	253611333	YMOZUVAVEMAUOG-OSTYVCCYSA-N	368.342	-1.186	0	40	FAAB	
COc1ccc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)cn1	257261278	LGOATOHZSSEGHF-BXUZGUMPSA-N	359.404	-1.423	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	13306054	JQVIHFVVMMXNPV-SQFXPHBZSA-N	353.335	-2.432	0	40	FAAB	
OC[C@H]1O[C@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)[C@H](O)[C@@H]1O	13816293	GYWXTRVEUURNEW-KOALMESCSA-N	351.363	-1.237	0	40	FAAB	
Cc1cn([C@H]2C[C@H](CNC(=O)CCC(=O)O)[C@H](O)[C@H]2O)c(O)nc1=O	257280476	OLBARQLAPZBIKS-PSJXJDHFSA-N	355.347	-1.479	0	40	FAAB	
NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	596620886	IKXVPWZLOVBCSH-ZJUUUORDSA-N	350.331	-1.016	0	40	FAAB	
Cc1cn([C@H]2CN(C(=O)/C=C/C(=O)O)C[C@H](O)C[C@]2(C)O)c(O)nc1=O	257208979	BOJFHWDWBVWNCJ-XQXGWXTPSA-N	367.358	-1.217	0	40	FAAB	
CCOC(=O)CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC1	48344281	TYQAOVJXDVPOSI-UHFFFAOYSA-N	363.374	-1.012	0	40	FAAB	
COCCn1nc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1=O	49590373	JGGNWZSIKHKRCG-JTQLQIEISA-N	373.387	-1.650	0	40	FAAB	
C[C@H](CO)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	77300937	QFCICQXODPSLQK-VGMNWLOBSA-N	365.408	-2.022	0	40	FAAB	in-vitro
C[C@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	5706594	QAMHALDBICFASN-HZMBPMFUSA-N	367.358	-1.021	0	40	FAAB	
Cc1cn(CC(=O)N2CCN(C)[C@]3(CCNC(=O)CC3)C2)c(=O)[nH]c1=O	95392240	IPHBUDYSNOVZFJ-QGZVFWFLSA-N	363.418	-1.342	0	40	FAAB	
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1	3838799	NSQINWGPNSVREX-GIPNMCIBSA-N	353.400	-1.110	0	40	FAAB	biogenic,in-vitro
Nc1ncnc2c1nc(N1CCOCC1)n2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	12320722	MRRXXEGKMDBWFH-PZWLIILKSA-N	352.351	-2.143	0	40	FAAB	
Nc1cc(=O)[nH]c(SCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1	12687369	CEIYVVZKFZYJSE-ZCFIWIBFSA-N	361.405	-1.543	0	40	FAAB	
O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(C[C@@H](O)Cn2cccn2)CC1	51502340	KBXUOMPSLZRESW-ZIAGYGMSSA-N	356.448	-1.177	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)Cn2nnn(-c3cccs3)c2=O)CC1	12883727	XXEZHLYIJLSINX-UHFFFAOYSA-N	372.432	-1.406	0	40	FAAB	
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	4556683	JYTUSYBCFIZPBE-ZKWJLTIJSA-N	358.296	-5.669	0	40	FAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)CN2CCOCC2)C[C@H]1O	257242730	IDWGULOEFVJJLL-DGCLKSJQSA-N	351.425	-2.808	0	40	FAAB	
CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1	261494685	XWZCZWKUGIQPJD-LHFMFSFRSA-O	353.351	-1.668	0	40	FAAB	endogenous,world
Nc1nc(F)nc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	11616626	GIUYCYHIANZCFB-ICKFSKTQSA-N	365.214	-1.724	0	40	FAAB	
COc1c(CCC(=O)O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	225458507	VLHQGQCFFBCKMV-RSQMQNDGSA-N	358.343	-1.109	0	40	FAAB	biogenic,in-vitro
COc1ccc(S(=O)(=O)N(CCN)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575424967	DBBUHSQNMNWEIM-CHWSQXEVSA-N	364.445	-1.198	0	40	FAAB	
CN(C)c1nc(N)nc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)n1	10389581	UOTJRYXMLXYHOG-UHFFFAOYSA-N	365.785	-1.031	0	40	FAAB	
CCc1nnc(SCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)n1N	3315851	TZMDLBDCYKMCIJ-QMMMGPOBSA-N	356.408	-1.464	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O	14135309	ZLPUYRKXJZYBBR-UHFFFAOYSA-N	356.404	-1.673	0	40	FAAB	
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O	9054570	FUAWIYUTCORVSH-XPTSAGLGSA-N	372.403	-1.280	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	25664110	KCLZXOUVOULMDP-COWZWYNKSA-N	370.358	-2.171	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	32107391	JQVIHFVVMMXNPV-PYSAPBNWSA-N	353.335	-2.432	0	40	FAAB	biogenic
O=C(O)/C(O)=C(\O)[C@H](O[C]1O[C@H](CO)C(O)=C(O)[C@H]1O)[C@H](O)CO	1560404586	KYVGTQNWXKMGHZ-VPTHOKOMSA-N	353.256	-2.294	0	40	FAAB	
O=C([C@@H]1CCCNC1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586569	QXPZMSDSRSBSIX-ZHCJQAHYSA-N	374.478	-1.151	0	40	FAAB	
Nc1nc(N)nc(SCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1	9882566	UXQGUZVLVQJVRM-YFKPBYRVSA-N	361.409	-1.859	0	40	FAAB	
CC(=O)NCC(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1	257249033	JGJZWUZRWSPRGA-MRXNPFEDSA-N	350.375	-1.463	0	40	FAAB	
Cn1c(N)c(C(=O)Cn2nnn(-c3ccccc3)c2=O)c(=O)n(C)c1=O	12921696	WPFNPKMHVYCGHG-UHFFFAOYSA-N	357.330	-1.709	0	40	FAAB	
COc1nc(N[C@@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5759894	KTMBIWVGBRTPKR-SHOJYFSJSA-N	359.335	-2.185	0	40	FAAB	
COc1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1S(N)(=O)=O	31479546	AHMKDTOHQMCNNX-UHFFFAOYSA-N	368.371	-1.158	0	40	FAAB	
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	19323154	AAPGTVLJFQIDHP-FIYFUKMKSA-N	356.463	-1.114	0	40	FAAB	
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1C[C@H](O)CO	136093659	VXXKDWBEVHGANN-PQZGBVCXSA-N	360.359	-2.230	0	40	FAAB	biogenic,in-vitro
CN(CC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	575421262	HOEFLSBKZNVTFB-TXEJJXNPSA-N	352.478	-1.207	0	40	FAAB	
COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	4305754	DHSJSCKOXMSVNH-QMHWVQJVSA-N	355.343	-1.170	0	40	FAAB	
COc1ccc(CC(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cc1	257290350	QCPKTBOXHWXVTH-HIFRSBDPSA-N	358.416	-1.279	0	40	FAAB	
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	1081597	UONWPCCRGXTMPY-AYIJCJCZSA-N	365.390	-1.033	0	40	FAAB	
Nc1nc2c(nc(N3CCCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	17106912	TXVWMZVTUGZJQK-QRKAXHLRSA-N	352.351	-2.087	0	40	FAAB	
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	3830254	QQOBRRFOVWGIMD-LPTSXCQYSA-N	371.302	-1.745	0	40	FAAB	
O=C(CN1CCCC1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643586580	SQKVEYXGPNNWHH-JOCBIADPSA-N	374.478	-1.055	0	40	FAAB	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I	27654519	XQFRJNBWHJMXHO-QYNIQEEDSA-N	354.100	-1.218	0	40	FAAB	biogenic,in-vitro
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2)[C@H](O)[C@@H]1O	36367438	HWELQUBQJDDHEY-OQAHCMQASA-N	372.374	-2.612	0	40	FAAB	biogenic
CN1C(=O)NC(=O)[C@H]([C@@H](c2ccncc2)[C@@H]2C(=O)NC(=O)N(C)C2=O)C1=O	248052033	RGWMLAOXGOLWSI-ILWJIGKKSA-N	373.325	-1.186	0	40	FAAB	
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	44127202	YSVYPLBRZMVZJE-QLAGSXOSSA-N	367.351	-4.226	0	40	FAAB	in-vitro
Cn1c(=O)c2c(ncn2[C@@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]2O)n(C)c1=O	9975027	FKLZXPBQHYRPLB-ITMSDYGPSA-N	355.307	-4.101	0	40	FAAB	
CN(C(=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	12601584	MWWGVRDHBBLBBI-AOOOYVTPSA-N	352.434	-1.723	0	40	FAAB	
Cn1c(=O)c2c(nc(CN3CCOCC3)n2C[C@H](O)CO)n(C)c1=O	20291334	JEAZSKRZCJGCIK-JTQLQIEISA-N	353.379	-2.381	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCN([C@@H]3CCOC3=O)CC2)cc1C(N)=O	37477433	AXPSGEWEYRMSBP-LLVKDONJSA-N	356.404	-1.254	0	40	FAAB	
O=C1CC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)O)N1	247379043	ITYONPBTNRIEBA-WOPDTQHZSA-N	363.374	-1.209	0	40	FAAB	
O=C(O)CN1C(=O)N[C@@H]2O[C@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@@H]21	5908806	JXEBQWMUDMAGTM-JQRWTQJCSA-N	374.262	-2.744	0	40	FAAB	
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	143078825	FHNIYFZSHCGBPP-CCICAUEJSA-N	356.324	-4.743	0	40	FAAB	
Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I	33906654	LQQGJDJXUSAEMZ-LENIQADQSA-N	369.115	-1.958	0	40	FAAB	
CN(C)C(=O)CN1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2	1614930940	ARZIUSQIHUKWEL-INIZCTEOSA-N	366.422	-1.553	0	40	FAAB	
COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1OC	36374594	QRWNMJBTANFMHA-CQLYOCRWSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
Cn1c(=O)c2c(ncn2CCN2CCN(S(C)(=O)=O)CC2)n(C)c1=O	24509119	MOXNSWFYOABBDC-UHFFFAOYSA-N	370.435	-1.989	0	40	FAAB	
COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	4305766	OCTAXAHVUYMHBW-HAFSJTIUSA-N	355.343	-1.204	0	40	FAAB	
Cn1cc(S(=O)(=O)N2CCN([C@H]3CCOC3=O)CC2)cc1C(N)=O	36398808	AXPSGEWEYRMSBP-NSHDSACASA-N	356.404	-1.254	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575425532	FUUFMUHZTYAVJA-OLZOCXBDSA-N	365.429	-1.164	0	40	FAAB	
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	4556681	JYTUSYBCFIZPBE-QEQSYILSSA-N	358.296	-5.669	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575425536	FUUFMUHZTYAVJA-STQMWFEESA-N	365.429	-1.164	0	40	FAAB	
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I	33906652	LQQGJDJXUSAEMZ-FJDLHZNMSA-N	369.115	-1.958	0	40	FAAB	
CC1=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]([C@@H](CO)C(=O)O)CC1	49601634	IVUFRBWVXKXZMM-AWGZLLKVSA-N	362.375	-1.778	0	40	FAAB	biogenic,in-vitro
COC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1CC(=O)OC	8716904	WOZPQAMLUWGHLP-UHFFFAOYSA-N	356.360	-1.128	0	40	FAAB	
C[C@@]1(NC(=O)C(=O)N[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	3245160	SDLWOYXXQFUFJE-VXGBXAGGSA-N	352.434	-1.627	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1	44451412	HDAKIVGZVJDOJM-UHFFFAOYSA-N	366.399	-1.206	0	40	FAAB	
C[C@@H](N)C(=O)N1CCC(C(=O)N[C@H](CCCNC(=N)N)C(=O)O)CC1	5531765	ZBEKTASQLKTURG-MWLCHTKSSA-N	356.427	-1.595	0	40	FAAB	biogenic
CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C	6194862	JCNDHLOJVDOZRH-UHFFFAOYSA-N	369.403	-1.258	0	40	FAAB	
CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	34165729	FHNIYFZSHCGBPP-AGVQYRFFSA-N	356.324	-4.743	0	40	FAAB	in-vitro
C[C@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1)C(=O)O	253611334	YMOZUVAVEMAUOG-RJVLYZLMSA-N	368.342	-1.186	0	40	FAAB	
C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)C[C@H](C)O1	20859865	UQYWOMGJBKMNHD-IUCAKERBSA-N	350.379	-1.482	0	40	FAAB	
CO[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	77303037	PDUNULQKKRPSLU-ABBMIVAOSA-N	356.324	-4.743	0	40	FAAB	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1NC(=O)C(F)(F)F	138598719	KHGXFRFYBJGYGA-QYYRPYCUSA-N	362.268	-1.294	0	40	FAAB	
Cn1c(CNC(=O)CNS(=O)(=O)c2ccccc2)cc(=O)n(C)c1=O	6662632	HOXMZJUITNHGBJ-UHFFFAOYSA-N	366.399	-1.321	0	40	FAAB	
O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[nH]c1=O	20664270	LRPXFCRZIHZYGF-UHFFFAOYSA-N	354.388	-1.173	0	40	FAAB	
Nc1ncnc2ncn(C[C@H]3OC[C@@H](NC(=O)c4ccco4)[C@H](O)[C@@H]3O)c12	2037977982	DJSVBDYKYDWBIU-HMHPOGMRSA-N	374.357	-1.079	0	40	FAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19323242	AQRKTEPLGLVFHX-BMZDUEENSA-N	358.435	-2.245	0	40	FAAB	
Cc1cn([C@@H]2CC[C@@H](NC(=O)CCC(=O)O)[C@@H](O)[C@H]2O)c(O)nc1=O	257330539	XOVATSQGXFZIMG-RQSQLSILSA-N	355.347	-1.336	0	40	FAAB	
CNC(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	5883749	ROWIKVIWEBGFSY-BQBZGAKWSA-N	364.380	-2.063	0	40	FAAB	in-vitro
COC(=O)C[C@H](NCCCN[C@H](CC(=O)OC)C(=O)OC)C(=O)OC	12403765	GABDBYKEISNXIB-PHIMTYICSA-N	362.379	-1.235	0	40	FAAB	in-vitro
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO	5338947	ICCAXRYQUHEHDT-XJFOESAGSA-N	350.320	-1.302	0	40	FAAB	
OC[C@@H]1O[C@H](OC[C@@H]2N[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	5889020	VCIPQQCYKMORDY-IMFUOBJMSA-N	355.340	-5.782	0	40	FAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I	4897031	RKSLVDIXBGWPIS-FJDLHZNMSA-N	370.099	-2.247	0	40	FAAB	
CS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21	5665530	AUVGCMLFAQGIGP-PXYVEVNBSA-N	362.433	-1.214	0	40	FAAB	
COc1ccc(S(=O)(=O)N(CCN)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575424971	DBBUHSQNMNWEIM-STQMWFEESA-N	364.445	-1.198	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2)[C@@H](O)[C@H]1O	105364359	HWELQUBQJDDHEY-ZSLLRAOYSA-N	372.374	-2.612	0	40	FAAB	biogenic
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	3984111	UONWPCCRGXTMPY-NFOTXUCKSA-N	365.390	-1.033	0	40	FAAB	
CN1CCN(C(=O)CN(C)C[C@@H](O)CN2C(=O)C(C)(C)N=C2O)CC1	71283041	BAPNIBXYSHTHEO-GFCCVEGCSA-N	355.439	-1.412	0	40	FAAB	
Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I	17044142	LQQGJDJXUSAEMZ-GCJQMDKQSA-N	369.115	-1.958	0	40	FAAB	
CCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC	5732467	PZZBGEZJRSVHLO-BGZDPUMWSA-N	350.411	-3.382	0	40	FAAB	
C[C@H](O)[C@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1)C(=O)O	5919563	YMOZUVAVEMAUOG-VVJJBPBLSA-N	368.342	-1.186	0	40	FAAB	
C[C@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@H](C(=O)O)[C@H](C)O)c1)C(=O)O	248321145	TZHYWXAHKUAKIC-OSTYVCCYSA-N	368.342	-1.186	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	1694304	QQOBRRFOVWGIMD-RYDUCSDGSA-N	371.302	-1.745	0	40	FAAB	biogenic
Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	257208561	BMQVVDIULPJUPQ-JTNHKYCSSA-N	357.436	-1.669	0	40	FAAB	
O=C(CN1CCN(CCO)CC1)N1CC[C@@](O)(CN2CCOCC2)C1	257318513	VOFZXOHBHQHZQJ-QGZVFWFLSA-N	356.467	-2.108	0	40	FAAB	
Nc1nc(O)c2nc(N3CCCC3)n([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	105370134	TXVWMZVTUGZJQK-NNXMZFEESA-N	352.351	-1.674	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O	242688389	VPAYRDIKCLRDTG-XSEXMBABSA-N	371.342	-1.284	0	40	FAAB	
CC1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1	96220817	UONWPCCRGXTMPY-SDBHATRESA-N	365.390	-1.033	0	40	FAAB	biogenic
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1	3872740	ZDPUTNZENXVHJC-PXMDKTAGSA-N	363.223	-2.570	0	40	FAAB	in-vitro,metabolite
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760811	HMUIGLOADKXFNT-FNBUAPEOSA-N	361.376	-2.474	0	40	FAAB	
COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]([C@@H](O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	257345349	NKPXXQQNLMLDTI-JHMKVRFYSA-N	362.331	-1.262	0	40	FAAB	
COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	4305757	DHSJSCKOXMSVNH-GCSSGZNBSA-N	355.343	-1.170	0	40	FAAB	
C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)n1cnc2c1c(=O)n(C)c(=O)n2C	18816490	PAAGVSDAXYKABU-IUCAKERBSA-N	369.403	-1.702	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1	24356430	KCNOFDGTVURQLC-UHFFFAOYSA-N	351.388	-1.105	0	40	FAAB	
CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	36406094	PHSXEFPOEDSQNQ-LLVKDONJSA-N	371.463	-1.045	0	40	FAAB	
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O	9054565	FUAWIYUTCORVSH-OTYXRUKQSA-N	372.403	-1.280	0	40	FAAB	
Cn1c(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O	6758867	CIUUIRQPYOLUCR-UHFFFAOYSA-N	374.353	-1.141	0	40	FAAB	
CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC)[C@H](C)C1	36390036	VOSHCBQBVGSAJO-LLVKDONJSA-N	356.427	-1.316	0	40	FAAB	
CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)CCC(=O)O)[C@H](O)[C@@H]1O	257317603	VKLOTXYEYKUKAX-BOOASOPXSA-N	364.362	-1.116	0	40	FAAB	
Cn1c(CNC(=O)CNS(=O)(=O)c2cccs2)cc(=O)n(C)c1=O	9409493	GHZQOFKBHYXFNM-UHFFFAOYSA-N	372.428	-1.260	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4457928	RLJFXPQTJCNTCL-IDTAVKCVSA-N	351.363	-1.279	0	40	FAAB	biogenic
CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	1610018	HBXJYTFPZSYZAQ-JJMVBFHUSA-N	360.323	-4.191	0	40	FAAB	
O=C(O)CN1C(=O)N[C@H]2O[C@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@@H]21	5908800	JXEBQWMUDMAGTM-VNQPEFDQSA-N	374.262	-2.744	0	40	FAAB	
CCS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O	4994342	WVDINDKKBLECNG-OMHSBUABSA-N	350.393	-2.467	0	40	FAAB	
O=C(NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1cnccn1	72405719	DMLFCNQCWCYMQS-LBPRGKRZSA-N	367.431	-1.462	0	40	FAAB	
C[C@@H](CO)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	13782061	DBVVQDGIJAUEAZ-NENBDWHOSA-N	353.379	-1.132	0	40	FAAB	in-vitro
CN(C)C(=O)CN1CCN(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)CC1	71281816	GUKBTQDUDJJBLH-LBPRGKRZSA-N	355.439	-1.617	0	40	FAAB	
CS(=O)(=O)N1CC2(CN(CC3CC3)[C@@H](C(=O)N3CCOCC3)CO2)C1	247561471	YXTOPLFMQAXUPM-CQSZACIVSA-N	373.475	-1.030	0	40	FAAB	
CNC(=S)NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1	13522657	SWRUFLONUOYKKQ-UHFFFAOYSA-N	354.440	-1.034	0	40	FAAB	
CN(C)C(=O)CN1CCN(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)CC1	71281814	GUKBTQDUDJJBLH-GFCCVEGCSA-N	355.439	-1.617	0	40	FAAB	
CC(=O)NCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1	8299028	FSYFHHRBELBEDF-BMFZPTHFSA-N	364.450	-1.224	0	40	FAAB	biogenic,in-vitro
COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c1OC	253529510	CXFDTBRNJQYDLK-HJHSNUOESA-N	360.315	-1.634	0	40	FAAB	biogenic,in-vitro
COC(=O)C[C@@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]12	8686992	FIJQHCWDUJPIMZ-JWKFFPHGSA-N	361.303	-1.401	0	40	FAAB	
COCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	16021941	GIVLVIPUHAZCDS-IUWMUCMRSA-N	372.381	-1.071	0	40	FAAB	
CS(=O)(=O)N1CCN2C[C@@H](C(=O)O)CN(c3ncccn3)C[C@H]2C1	107819512	UKRXQDSWQCGMAL-NEPJUHHUSA-N	355.420	-1.057	0	40	FAAB	
C[C@@]1(O)CCN(C(=O)CC[C@H](N)C(N)=O)C[C@H]1n1ccc(O)nc1=O	257201351	AHHONDACRBNHTC-FEUHOPSXSA-N	353.379	-1.934	0	40	FAAB	
O=C(Cn1nnc2ccccc2c1=O)NC(=O)N[C@H]1CCS(=O)(=O)C1	9349296	FEESBHPPFXDIHD-VIFPVBQESA-N	365.371	-1.196	0	40	FAAB	
CC(=O)NC[C@@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1	257208690	BNFPZTSSOXUIFL-INIZCTEOSA-N	351.407	-1.056	0	40	FAAB	
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(OC)cc1	4328800	YQIBVMFBNVYANE-LBPRGKRZSA-N	357.388	-1.096	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O	242688391	VPAYRDIKCLRDTG-XYFZXANASA-N	371.342	-1.284	0	40	FAAB	
O=C1CC[C@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)O)N1	33949581	ITYONPBTNRIEBA-UTUOFQBUSA-N	363.374	-1.209	0	40	FAAB	biogenic
C[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	4099189	DSXFHNSGLYXPNG-YDYVGBNJSA-N	360.359	-1.210	0	40	FAAB	biogenic,in-vitro
CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	35636131	YSVYPLBRZMVZJE-CDSJCPEXSA-N	367.351	-4.226	0	40	FAAB	
CC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4011870	AUFUWRKPQLGTGF-DOERSZECSA-N	370.314	-1.140	0	40	FAAB	
O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1	6095847	VDPYMEBVIDZKMD-UHFFFAOYSA-N	367.383	-1.007	0	40	FAAB	world
Cn1ncc2c(=O)n(CC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)cnc21	14197277	HYRWIMJBTLXXDQ-UHFFFAOYSA-N	369.341	-1.034	0	40	FAAB	
CO[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	77303033	PDUNULQKKRPSLU-BMZCSVJBSA-N	356.324	-4.743	0	40	FAAB	in-vitro
CCN1CCN(CC(=O)NCCNC(=O)CN2CCN(CC)CC2)CC1	21642777	TXAKWKSGSAINDU-UHFFFAOYSA-N	368.526	-1.506	0	40	FAAB	
OC[C@@H]1O[C@@H](Nc2cccc(N[C@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H]1O	36367437	HWELQUBQJDDHEY-HHUQYMAPSA-N	372.374	-2.612	0	40	FAAB	
O=C(NCC1CCCCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	257234777	GVARJGNWHFQSQX-BMBUUVGOSA-N	374.459	-1.590	0	40	FAAB	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2ncc(=O)[nH]c2=O)[C@@H]1OC(C)=O	102808678	RWXMBOHMNHIISC-MGAJPHDKSA-N	371.302	-1.745	0	40	FAAB	biogenic
C[C@@]1(O)CN(C(=O)CC[C@H](N)C(N)=O)CC[C@H]1n1ccc(O)nc1=O	257233416	GPEGNBPOGDOMRD-FEUHOPSXSA-N	353.379	-1.934	0	40	FAAB	
COc1cc(C=O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342126	DHSJSCKOXMSVNH-ARKGTOAJSA-N	355.343	-1.170	0	40	FAAB	
C[C@H](O)C(=O)N[C@H](CCC(=O)O[C@H](C)C(=O)O)C(=O)O[C@H](C)C(=O)O	2060999936	WMMPBBFJURQULZ-JQCXWYLXSA-N	363.319	-1.335	0	40	FAAB	
N=c1[nH]c(=O)c2ncn([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1	9659886	RQFCJASXJCIDSX-HAVMAKPUSA-N	363.223	-2.739	0	40	FAAB	biogenic,in-vitro
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	9209165	ULNYWSYTZHUVLX-AGSIJNCFSA-N	366.378	-2.517	0	40	FAAB	
O=C(O)[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	12405024	JYTUSYBCFIZPBE-DCHYHNNESA-N	358.296	-5.669	0	40	FAAB	biogenic,in-vitro
COC(=O)Cc1nnn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1	58299268	DWAAKZPCFFVNNZ-UHFFFAOYSA-N	354.348	-1.325	0	40	FAAB	
COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	4305752	DHSJSCKOXMSVNH-OTJKEOIZSA-N	355.343	-1.170	0	40	FAAB	
CC(=O)Nc1nc(N)c2ncn([C@H]3O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]3O)c2n1	4707857	OJBUNRHBKLMRRO-GCLGEZPSSA-N	354.323	-2.661	0	40	FAAB	
O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)NCCN1CCOCC1	12603923	SRGQJTJULYVHLM-LQKXBSAESA-N	371.434	-2.160	0	40	FAAB	biogenic,in-vitro
COCC(=O)N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O	1615121985	PHVKEZLCHXKSHU-VZJNWSLWSA-N	352.351	-2.340	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8762235	BDPVKQAEONBPSN-PYSAPBNWSA-N	352.351	-2.859	0	40	FAAB	biogenic
O=C(C(=O)N1CCN(C2CC2)C(=O)C1)N1CCC(N2CC[C@H](O)C2)CC1	658578907	IDTFNCJMCMGLNU-HNNXBMFYSA-N	364.446	-1.123	0	40	FAAB	
Nc1nc2c(nc(Br)n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	2565315	ASUCSHXLTWZYBA-REZRJACNSA-N	362.140	-1.924	0	40	FAAB	
CSc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886062	HEHVKLAYARFKRH-DCPHZCSOSA-N	373.391	-2.594	0	40	FAAB	
CC(=O)O[C@@H]1CO[C@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	35882819	RWXMBOHMNHIISC-JHEVNIALSA-N	371.302	-1.745	0	40	FAAB	biogenic
CN1NC(=O)C(=O)N[C@H]1SCC1=C(C(=O)O)[C@H]2C(=O)[C@@H](N)[C@H]2SC1	35565109	YQOXEBPMLKJSDG-PSTABDFQSA-N	372.428	-1.881	0	40	FAAB	
CC[C@H](C)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	12604284	PUIRQQQJMGMJBM-VIFPVBQESA-N	351.363	-1.108	0	40	FAAB	
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1	306142820	XKSKBFPOPKLDMN-SNVBAGLBSA-N	351.454	-1.330	0	40	FAAB	
CC(=O)N1CCN(C(=O)CCN)CCCCOC[C@@H](O)[C@H](O)[C@@H](O)C1	643586473	GHKJTEDYXVUFKU-SQWLQELKSA-N	361.439	-2.095	0	40	FAAB	
Cn1cc(C(=O)N2CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C2)cn1	643913448	YGNCPUJXGSVHIO-KLHDSHLOSA-N	371.434	-1.104	0	40	FAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(N)c2c1=O	4772540	KYOWULICTCFHHF-KSHIGNKQSA-N	352.307	-3.334	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O	257347513	KCLZXOUVOULMDP-QPGZIWCOSA-N	370.358	-2.171	0	40	FAAB	
CCS(=O)(=O)c1nnnn1CCn1nnnc1S(=O)(=O)CC	3628982	WZCYMSDJNBAHKW-UHFFFAOYSA-N	350.386	-2.053	0	40	FAAB	
CC(C)[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCOCC1	25373992	LIONWVHLHMNJDU-LBPRGKRZSA-N	374.463	-1.281	0	40	FAAB	
COCCNC(=O)NC[C@H]1O[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O	604381676	KXNGKOMRBJERON-FWZIUSJTSA-N	357.407	-1.114	0	40	FAAB	biogenic,in-vitro
Nc1nc2c(nc(N3CCNCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	12082304	RLUMDLMWJCRUQP-QRKAXHLRSA-N	367.366	-3.277	0	40	FAAB	
CN(CCO)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	9307888	BOTMMFMPSATKNZ-GXSJLCMTSA-N	358.438	-2.140	0	40	FAAB	
COCCNC(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1	36709109	MDTYAEDSOVPEAS-UHFFFAOYSA-N	372.451	-1.126	0	40	FAAB	
O=C(CCCN1C(=O)CNC1=O)N1CC[C@@](O)(CN2CCOCC2)C1	257237370	HGECEMNOKLRUBF-MRXNPFEDSA-N	354.407	-1.386	0	40	FAAB	
CN(C)C(=O)NCc1cc(=O)n2c(n1)CN(C(=O)c1ncn(C)n1)CC2	2055772454	KIIPMUYGVHGVGS-UHFFFAOYSA-N	360.378	-1.201	0	40	FAAB	
CC(=O)Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	4892664	XVIFZZGCCJWHHU-QMHWVQJVSA-N	354.359	-1.033	0	40	FAAB	
O=C(NCCO)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1	3016128	RAJHZXKEQVIRNO-ZDUSSCGKSA-N	371.415	-1.352	0	40	FAAB	
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1	3838798	IEVLIPADMKEPBM-UMVBOHGHSA-N	365.361	-1.032	0	40	FAAB	biogenic,in-vitro
COc1ccc(CCC(=O)O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	31155496	LIVNOUBJFOXZOR-YMILTQATSA-N	358.343	-1.109	0	40	FAAB	biogenic,in-vitro
O=C(c1ccnnc1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643913136	GZPHCWUXRUTKKR-ZJIFWQFVSA-N	369.418	-1.047	0	40	FAAB	
COc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886013	MGYXHYCKLVSISM-JKHDZATESA-N	357.323	-3.307	0	40	FAAB	
Nc1nc2c(nc(N3CCNCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	6150379	RLUMDLMWJCRUQP-YLJFRXORSA-N	367.366	-3.277	0	40	FAAB	
O=C(O)CN1C(=O)N[C@H]2O[C@@H]([C@@H]3O[C@H]4NC(=O)N(CC(=O)O)[C@@H]4O3)O[C@H]21	102754520	JXEBQWMUDMAGTM-XJHPQEAJSA-N	374.262	-2.744	0	40	FAAB	
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O	3840039	HZCKJRJKYKTOQJ-LHNIVKCTSA-N	367.427	-1.183	0	40	FAAB	biogenic,in-vitro
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)C=CC1=N2	5567884	MSMDYXCIEJKUMY-QJZXMWHDSA-N	362.366	-1.552	0	40	FAAB	
COc1ccc(/C=C/C(=O)O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	77257395	LOPCJHUBECHTEA-BJGSYIFTSA-N	356.327	-1.028	0	40	FAAB	biogenic,in-vitro
C[C@@]1(O)CN(C(=O)CC[C@@H](N)C(=O)O)CC[C@H]1n1ccc(O)nc1=O	257253084	JXMWWCWYTFOKDQ-IQMDTDKHSA-N	354.363	-1.335	0	40	FAAB	
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN(CCO)CCO)C1	585290597	DEJUKTXPTYWVCP-CABCVRRESA-N	360.432	-1.931	0	40	FAAB	
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	5567882	MSMDYXCIEJKUMY-ZGFBFQLVSA-N	362.366	-1.552	0	40	FAAB	
Cn1c(N)c(C(=O)CN2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O	16483495	AIIWOXBWHJXHKL-UHFFFAOYSA-N	359.390	-1.539	0	40	FAAB	
CCOC(=O)Cn1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C	5313142	QWRRHCSGWYSSRU-UHFFFAOYSA-N	350.379	-1.262	0	40	FAAB	
Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	13306062	BNDIZWMKIIMLTJ-QRKAXHLRSA-N	368.350	-2.850	0	40	FAAB	biogenic
C[C@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	35465901	XUWSHXDEJOOIND-IGOQATCFSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
COC(=O)C[C@@]1(C(=O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)N(C(C)=O)N1C	5707266	GRSJKWUDYYPHJA-RWSFTLGLSA-N	374.346	-1.499	0	40	FAAB	
CCS(=O)(=O)C([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC	5732469	PZZBGEZJRSVHLO-LURQLKTLSA-N	350.411	-3.382	0	40	FAAB	
O=C(OC[C@@H](O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1	35457690	DLZMKPZOEYKXHQ-WUMBASQESA-N	372.326	-1.887	0	40	FAAB	biogenic,in-vitro
CN(C)C(=O)CN1C(=O)CO[C@@H]2CN(C(=O)c3cccc(=O)n3C)C[C@H]21	1614939806	YZUFAQUQUUVPMN-CHWSQXEVSA-N	362.386	-1.475	0	40	FAAB	
Cn1cnc(C(=O)N2CCn3c(nc(CNS(C)(=O)=O)cc3=O)C2)n1	2055772419	HEXIXNRIFAYVDQ-UHFFFAOYSA-N	367.391	-1.923	0	40	FAAB	
CCS(=O)(=O)NCCNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	103145416	STEHQTBGLNSXBO-XRRVDJEJSA-N	355.416	-1.151	0	40	FAAB	
COC(=O)[C@H]1[C@H](C(=O)OC)C([C@H](O)OC)[C@@H](C(=O)OC)[C@H]1C(=O)OC	5675285	NKPXXQQNLMLDTI-IJZVYLAISA-N	362.331	-1.262	0	40	FAAB	
CN(C)CCN1C[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@@H](O3)[C@@H]2S1(=O)=O	1565556356	RWLUTJGIKOCIGW-KJWHEZOQSA-N	373.475	-1.176	0	40	FAAB	
COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342015	OCTAXAHVUYMHBW-YMSVYLFOSA-N	355.343	-1.204	0	40	FAAB	
CC(=O)N[C@H]1[C@H](Oc2ccc(C(C)=O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O	97142191	UYWGDBGHEPSJEQ-OXGONZEZSA-N	355.343	-1.083	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	216303205	VPAYRDIKCLRDTG-YMSVYLFOSA-N	371.342	-1.284	0	40	FAAB	
CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CCN)[C@@H](O)[C@@H]1O	257223783	DYVHKMFVUISWGI-DMTCVQMQSA-N	363.422	-1.217	0	40	FAAB	
CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	20354962	QUVXKQVXHNZRKE-UHFFFAOYSA-N	351.363	-1.181	0	40	FAAB	
C[C@@]1(O)CN(C(=O)[C@@H](N)CC(=O)O)CC[C@H]1n1cnc2c(N)ncnc21	257294577	QUTAZQVDAXITOR-IQMYEBEASA-N	363.378	-1.265	0	40	FAAB	
O=C(CN1CCCCCC1=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586244	OJMYAKSFMCMCLE-CPUCHLNUSA-N	355.435	-1.346	0	40	FAAB	
O=C(N[C@H]1CCCNC1=O)C1=C[C@@H](NC(=O)c2cccnc2)[C@@H](O)[C@H](O)C1	3840142	SXZQUYLUEMBWEA-GBJTYRQASA-N	374.397	-1.373	0	40	FAAB	biogenic,in-vitro
Cn1c(O)c([C@H](c2ccncc2)c2c(O)[nH]c(=O)n(C)c2=O)c(=O)[nH]c1=O	100792966	ZFIJVOWAROOENG-MRVPVSSYSA-N	373.325	-1.553	0	40	FAAB	
Cn1cc(CN2C[C@H](O)[C@@H](n3cnc4c(=O)n(C)c(=O)n(C)c43)C2)cn1	643913317	QROGTYKEPGWALB-RYUDHWBXSA-N	359.390	-1.415	0	40	FAAB	
CSC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O	4742520	XKLZIVIOZDNKEQ-CLQLPEFOSA-N	361.445	-1.069	0	40	FAAB	biogenic,in-man
Cc1cc(N2CC[C@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)ncn1	257260576	LDLXJLDIVRKRMK-AWEZNQCLSA-N	357.436	-1.266	0	40	FAAB	
Cn1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1	22118220	YSYJDRIUCROLBF-UHFFFAOYSA-N	365.379	-1.775	0	40	FAAB	
C1CNCCNCC(C2CNCCNCCNCCNC2)CNCCN1	68605103	USYZZUHODYIGSZ-UHFFFAOYSA-N	370.590	-3.037	0	40	FAAB	biogenic
CN1CCN(C(=O)[C@H]2CN(C(=O)c3ncn(C)n3)Cc3ncnn3C2)CC1	1614940444	MCINCOUMTJZKIX-LBPRGKRZSA-N	373.421	-1.547	0	40	FAAB	
O=C1NC=N[C@H]2[C@H]1N=CN2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	35112857	YSIMTGNFODFMMA-APDUKXCWSA-N	350.224	-3.261	0	40	FAAB	
C[C@H](O)[C@@H](N1CCN([C@@H]([C@H](C)O)S(=O)(=O)O)CC1)S(=O)(=O)O	256068868	KGOOEFUPVFKRHJ-AATLWQCWSA-N	362.426	-2.207	0	40	FAAB	
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5812915	FMYIGYIGNUAPIW-YHZLNDEXSA-N	358.376	-2.176	0	40	FAAB	
Nc1nc(N)nc(SCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1	9882564	UXQGUZVLVQJVRM-RXMQYKEDSA-N	361.409	-1.859	0	40	FAAB	
O=C(O)CCC(=O)N[C@@H]1CC[C@@H](n2cc(F)c(O)nc2=O)[C@@H](O)[C@@H]1O	257228835	FVLNMSJVEKOZRL-GAJNKVMBSA-N	359.310	-1.506	0	40	FAAB	
CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1	306130649	JMGNBVNVKPBDPH-LLVKDONJSA-N	351.454	-1.015	0	40	FAAB	
CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)CN2CSCC2=O)CCO1	681944049	RSNIKSFIKNFEIF-NSHDSACASA-N	359.404	-1.320	0	40	FAAB	
C[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O	39797810	SHKGHIFSEAGTNL-ZMLRMANQSA-N	354.411	-1.517	0	40	FAAB	
CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)NCCCOC)CC1	96126357	SYLJLMOWDWVCCF-ZDUSSCGKSA-N	357.455	-1.009	0	40	FAAB	
O=C1NCC[C@@H]2[C@@H]1N=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	245380105	RKWIRJQBGMGUNJ-VZGVWICMSA-N	354.407	-2.160	0	40	FAAB	
COCCCn1c(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)n[nH]c1=O	9836448	NWECGOWREYGQAA-UHFFFAOYSA-N	370.391	-1.448	0	40	FAAB	
C[C@H](CO)SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	504173141	QFCICQXODPSLQK-HRDYMLBCSA-N	365.408	-2.022	0	40	FAAB	
CN(C(=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	3257233	MWWGVRDHBBLBBI-NXEZZACHSA-N	352.434	-1.723	0	40	FAAB	
Cn1c(N)c(C(=O)CN2CCC(C3OCCO3)CC2)c(=O)n(C)c1=O	69198869	VAUACGBKDYFLBO-UHFFFAOYSA-N	352.391	-1.066	0	40	FAAB	
CN1C(=O)NC(=O)[C@@H](C(c2ccncc2)[C@@H]2C(=O)NC(=O)N(C)C2=O)C1=O	16188967	RGWMLAOXGOLWSI-NXEZZACHSA-N	373.325	-1.186	0	40	FAAB	
CN(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ncccn1	40072739	RLVZJKLJASAKJO-UHFFFAOYSA-N	362.346	-1.682	0	40	FAAB	
COCCN(CC(N)=O)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	58182634	QNVORSLIKFSEGT-UHFFFAOYSA-N	351.406	-1.544	0	40	FAAB	
CC(C)c1ncc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cn1	257235659	GYUJIVUSGVSSQW-RISCZKNCSA-N	358.420	-1.303	0	40	FAAB	
Nc1nccnc1[C@@H]1CN(C(=O)CN2CCN(CCO)CC2)CCO1	257327596	XBZOCSDKSMYYFF-ZDUSSCGKSA-N	350.423	-1.431	0	40	FAAB	
CNC(=O)SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	5883751	ROWIKVIWEBGFSY-NKWVEPMBSA-N	364.380	-2.063	0	40	FAAB	
CSc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886067	HEHVKLAYARFKRH-JKHDZATESA-N	373.391	-2.594	0	40	FAAB	
Cn1nnnc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C	14943717	ZESFKLNBURHOJL-UHFFFAOYSA-N	365.379	-1.775	0	40	FAAB	
Cc1cc(=O)oc2cc(OC(=O)[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)ccc12	71792252	JDLWQVUSJZOVRG-VQJWOFKYSA-N	352.295	-1.193	0	40	FAAB	
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	9209167	ULNYWSYTZHUVLX-ZMZKGCHWSA-N	366.378	-2.517	0	40	FAAB	
Cc1c([C@H]2Cc3c(c(=O)n(C)c(=O)n3C)[C@@H](O)O2)c(=O)n(C)c(=O)n1C	12296951	GEITXJAJGBWDNT-OTYXRUKQSA-N	364.358	-1.905	0	40	FAAB	biogenic
CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1	58281831	FMOBQVYMLBZWRE-SECBINFHSA-N	358.420	-1.642	0	40	FAAB	
CN(C)c1nc(CNC(=O)c2ccc(=O)n(C)n2)nc(N2CCOCC2)n1	575606637	RESXMWAWEKHEIF-UHFFFAOYSA-N	374.405	-1.202	0	40	FAAB	
C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cnc2c1c(=O)n(C)c(=O)n2C	18816484	PAAGVSDAXYKABU-DTWKUNHWSA-N	369.403	-1.702	0	40	FAAB	
COC(=O)C[C@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]12	8686993	FIJQHCWDUJPIMZ-VQFQEQAESA-N	361.303	-1.401	0	40	FAAB	
CN(C)C(=O)CN1[C@@H]2CN(S(C)(=O)=O)C[C@@H]2OCCS1(=O)=O	1534645967	ZXUVKUPGUTYSKO-ZJUUUORDSA-N	355.438	-2.251	0	40	FAAB	
C[C@@]1(O)CN(C(=O)[C@@H](N)CCCCN)CC[C@H]1n1ccc(O)nc1=O	257231673	GHTSDWLDEBUYQN-HWWQOWPSSA-N	353.423	-1.070	0	40	FAAB	
CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	36378885	FHNIYFZSHCGBPP-JHGIASSQSA-N	356.324	-4.743	0	40	FAAB	
CN(C)c1nc(N)nc(CN2CCN(S(=O)(=O)N3CCCC3)CC2)n1	58169116	PAAIPXJRSWPMMZ-UHFFFAOYSA-N	370.483	-1.022	0	40	FAAB	
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H]1O	8643739	DVZLNOVESYWXRG-HDEZJCGLSA-N	365.430	-1.027	0	40	FAAB	biogenic,in-vitro
CS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(=S)[nH]cnc21	5665529	AUVGCMLFAQGIGP-RTRHYMQASA-N	362.433	-1.214	0	40	FAAB	
CN1CCN(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)CC1	40083163	VBZTXYVEBUIFNK-UHFFFAOYSA-N	367.439	-1.867	0	40	FAAB	
O=C1NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2[nH]c(N3CCCCC3)nc21	253562801	DSLPRQCDUZWKAY-GCDPNZCJSA-N	353.379	-1.654	0	40	FAAB	
CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1	96049887	GQSDILLIBAKSEC-AWEZNQCLSA-N	356.404	-1.020	0	40	FAAB	
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O	116166453	XLVFYWQZEYSISB-BEDWUZKKSA-N	370.318	-3.292	0	40	FAAB	
Cn1c(CNC(=O)CNC(=O)COc2ccccc2)cc(=O)n(C)c1=O	6662102	HQOUHNYLBSSJSP-UHFFFAOYSA-N	360.370	-1.105	0	40	FAAB	
COC(=O)C[C@@H](C(=O)OC)N1CCN([C@@H](CC(=O)OC)C(=O)OC)CC1	20219124	FRJXLAXGIQPDLI-RYUDHWBXSA-N	374.390	-1.187	0	40	FAAB	
COC(=O)C[C@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]12	8686991	FIJQHCWDUJPIMZ-BEKOTUFOSA-N	361.303	-1.401	0	40	FAAB	
CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	37470592	PHSXEFPOEDSQNQ-NSHDSACASA-N	371.463	-1.045	0	40	FAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)nc(N)c2c1=O	4772542	KYOWULICTCFHHF-OZEWQGRDSA-N	352.307	-3.334	0	40	FAAB	
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1	6905489	WOKJFELXLJKULR-JAAXMTQOSA-N	355.343	-1.204	0	40	FAAB	
N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O	4899557	YCYXHLZRUSJITQ-SRVKXCTJSA-N	368.438	-1.356	0	40	FAAB	
C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)CO	105807250	GOSWTRUMMSCNCW-HXUZZKSISA-N	351.363	-1.212	0	40	FAAB	
CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O	4994340	WVDINDKKBLECNG-CDPPZIPSSA-N	350.393	-2.467	0	40	FAAB	
Nc1ncnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	12320720	MRRXXEGKMDBWFH-SQFXPHBZSA-N	352.351	-2.143	0	40	FAAB	biogenic
COC(=O)[C@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O	85554788	OGYOVWWBXCPHML-LURJTMIESA-N	355.376	-1.427	0	40	FAAB	
COC(=O)[C@@H](C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O	85554791	OGYOVWWBXCPHML-ZCFIWIBFSA-N	355.376	-1.427	0	40	FAAB	
COc1cc(=O)n(C)cc1C(=O)N1CC(S(=O)(=O)c2nncn2C)C1	244998661	KOIUMINNWZBSRI-UHFFFAOYSA-N	367.387	-1.179	0	40	FAAB	
C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(N)=O)C[C@@H](C)O1	20859851	UQYWOMGJBKMNHD-RKDXNWHRSA-N	350.379	-1.482	0	40	FAAB	
O=C(c1ccnnc1)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643586486	GZPHCWUXRUTKKR-KLHDSHLOSA-N	369.418	-1.047	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	4532648	KCLZXOUVOULMDP-DJIJKHNZSA-N	370.358	-2.171	0	40	FAAB	
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O	100655939	XXAUOPDVAKGRPR-SRQGCSHVSA-N	373.410	-2.563	0	40	FAAB	
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)C3CCOCC3)[C@H]2O)CC1	514288422	DWBIACIYGJFARM-HRCADAONSA-N	355.435	-1.178	0	40	FAAB	biogenic,in-vitro
NC(=O)CN1C(=O)[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCN2C1=O	5415715	XOZHNFXSKHCNJM-JTQLQIEISA-N	360.326	-1.011	0	40	FAAB	biogenic,in-vitro
COc1nc(N[C@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5759896	KTMBIWVGBRTPKR-DJMODRDESA-N	359.335	-2.185	0	40	FAAB	
Nc1nc2c(nc(Br)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	2461679	ASUCSHXLTWZYBA-UZJDFGQCSA-N	362.140	-1.924	0	40	FAAB	
CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21	11616801	WPVFJKSGQUFQAP-DTWKUNHWSA-N	354.367	-1.437	0	40	FAAB	biogenic,in-vitro
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	247824575	FHNIYFZSHCGBPP-YLWGIQMSSA-N	356.324	-4.743	0	40	FAAB	
CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	2564764	OXTYJSXVUGJSGM-OIHOSGODSA-N	353.335	-1.674	0	40	FAAB	
CNC(=O)SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	5883754	ROWIKVIWEBGFSY-RQJHMYQMSA-N	364.380	-2.063	0	40	FAAB	
O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(CN(CCO)CCO)C1	585288967	BPJIFZCLFCEBBY-CVEARBPZSA-N	374.459	-1.540	0	40	FAAB	
CN1C(=O)NC(=O)[C@H](C(c2ccncc2)[C@H]2C(=O)NC(=O)N(C)C2=O)C1=O	16188973	RGWMLAOXGOLWSI-UWVGGRQHSA-N	373.325	-1.186	0	40	FAAB	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I	537850	XQFRJNBWHJMXHO-VQVTYTSYSA-N	354.100	-1.218	0	40	FAAB	biogenic,in-vitro
C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	5706595	QAMHALDBICFASN-YGRLFVJLSA-N	367.358	-1.021	0	40	FAAB	
COCCn1c(N2CCN(CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	56952901	RYLYEHBRGBXNNX-UHFFFAOYSA-N	365.394	-2.323	0	40	FAAB	
CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O	35636134	YSVYPLBRZMVZJE-YMDRYEBASA-N	367.351	-4.226	0	40	FAAB	
O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1CCO)[C@H]1[C@H]2C(=O)N(CCO)C(=O)[C@@H]2[C@H]31	100571024	NNCBLLLMELTIGX-JOSLGPENSA-N	360.366	-1.765	0	40	FAAB	
C[C@H](O)Cn1c(NCCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	23704152	WKFQPMAZIMGBHN-NSHDSACASA-N	366.422	-1.062	0	40	FAAB	
O=CN1CCN(C[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1	72406230	PLZCKDYFOOUFIL-JKSUJKDBSA-N	374.507	-2.074	0	40	FAAB	
CCOC(=O)N(C)CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	47913254	CZXGUTFWDGGAMZ-UHFFFAOYSA-N	370.406	-1.396	0	40	FAAB	
CS(=O)(=O)C[C@@H](O)CN1CCN(C[C@H](O)CS(=O)(=O)O)CC1	71404958	BATRHFPEJHETTP-QWRGUYRKSA-N	360.454	-2.742	0	40	FAAB	
CC(C)NC(=O)N1C[C@@H]2OCCS(=O)(=O)N(CC(=O)N(C)C)[C@@H]2C1	1534645794	DYWPOLRNBSSCBX-NEPJUHHUSA-N	362.452	-1.093	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O	62725161	VPAYRDIKCLRDTG-JAAXMTQOSA-N	371.342	-1.284	0	40	FAAB	
O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCC(=O)[C@H](O)[C@@H](O)[C@H](O)CO	257537816	RZJHOCXJFBBOAY-UKMLZYKCSA-N	366.370	-1.603	0	40	FAAB	
COC(=O)C[C@@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)C[C@]12C(=O)OC	36153428	MXIBKENDZANYTI-BPTATDOASA-N	361.303	-1.257	0	40	FAAB	
O=C(O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@@H]12	257771261	ZJDOESGVOWAULF-RGPVNXSMSA-N	374.342	-2.318	0	40	FAAB	endogenous,in-man
CC(=O)Nc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]3O)c2n1	4707858	OJBUNRHBKLMRRO-HTBHEZIPSA-N	354.323	-2.661	0	40	FAAB	
CC(=O)N[C@H]1[C@H](O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	13548018	BSNVYGSAFLBSSQ-LCEQAINRSA-N	367.351	-4.226	0	40	FAAB	in-vitro
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)CC1	22923851	DTPOLZFQUAVPAM-UHFFFAOYSA-N	364.450	-1.046	0	40	FAAB	
O=S1(=O)C[C@@H](O)[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)C1	22937512	XEZHKJKLCWAOKY-KKOKHZNYSA-N	354.450	-3.080	0	40	FAAB	
C[C@H](O)[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C(=O)O)[C@@H](C)O)c1)C(=O)O	221885234	TZHYWXAHKUAKIC-ZTCHHREXSA-N	368.342	-1.186	0	40	FAAB	
O=C(O)CC[C@@H](NC(=O)CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O	225956918	TYEUELXPMRWJMX-RNFRBKRXSA-N	362.291	-1.755	0	40	FAAB	
O=C1NCC[C@@H]2[C@@H]1N=C(N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	245380102	RKWIRJQBGMGUNJ-CDWXYHGHSA-N	354.407	-2.160	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4257481	JQVIHFVVMMXNPV-YTDXRRJTSA-N	353.335	-2.432	0	40	FAAB	biogenic
Cc1c([C@@H]2Cc3c(c(=O)n(C)c(=O)n3C)[C@H](O)O2)c(=O)n(C)c(=O)n1C	12296952	GEITXJAJGBWDNT-LKFCYVNXSA-N	364.358	-1.905	0	40	FAAB	biogenic
COCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	20548389	GIVLVIPUHAZCDS-GNTLTTKYSA-N	372.381	-1.071	0	40	FAAB	
CN[C@H](C(=O)N[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	3839688	HICSKBYWDSHPQA-ZGYLKHSLSA-N	356.423	-2.243	0	40	FAAB	biogenic,in-vitro
C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O	25971893	YVWAIVLJDDPSPI-QMMMGPOBSA-N	368.390	-1.057	0	40	FAAB	
Cn1c(O)c([C@@H](c2ccncc2)c2c(O)[nH]c(=O)n(C)c2=O)c(=O)[nH]c1=O	16034765	ZFIJVOWAROOENG-QMMMGPOBSA-N	373.325	-1.553	0	40	FAAB	
CO[C@@H]1CN(C(=O)C2CCC2)C[C@@H](O)[C@H](O)CCCOC[C@@H](O)[C@H]1O	2037972642	OEPNFZCCSNTZDF-OXGONZEZSA-N	361.435	-1.116	0	40	FAAB	
NCCC[C@H](N)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)O	4899571	SHMVFFURFKJDHA-SRVKXCTJSA-N	360.459	-2.415	0	40	FAAB	in-vitro
CN1CCN(c2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	5395595	XSYVIGUUPQSAET-AYIJCJCZSA-N	350.379	-1.810	0	40	FAAB	
NS(=O)(=O)c1ccc(N[C@@]2(O)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	25665819	GBKRMXPMCRWBET-KNZXXDILSA-N	350.349	-3.134	0	40	FAAB	
Cn1cnc2c1c(=O)n(Cn1c(=O)c3c(ncn3C)n(C)c1=O)c(=O)n2C	34090877	JQLBZHMVLVGVBB-UHFFFAOYSA-N	372.345	-2.313	0	40	FAAB	in-vitro
CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)O)[C@H]2C(=O)[C@@H](N)[C@H]2SC1	35565110	YQOXEBPMLKJSDG-HNPBVJADSA-N	372.428	-1.881	0	40	FAAB	
CN(C(=O)CCN)[C@H]1CC[C@@](O)(Cn2cnc3c(N)ncnc32)[C@H](O)C1	257328716	XGVDZNLWPCNFAP-LYOVBCGYSA-N	363.422	-1.140	0	40	FAAB	
O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)CCCNCC1	68604261	NXZALZWMPSMALQ-UHFFFAOYSA-N	374.438	-1.470	0	40	FAAB	biogenic
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1	604382058	BNEXJTMZLIOLDX-CYBMUJFWSA-N	374.463	-1.531	0	40	FAAB	biogenic,in-vitro
COc1nc(N[C@@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5759897	KTMBIWVGBRTPKR-SWIWVBGMSA-N	359.335	-2.185	0	40	FAAB	
NC(=O)CN1C(=O)[C@@H]2CN(S(=O)(=O)c3cccs3)CCN2C1=O	5415723	YUBQMFWPMFSWRT-QMMMGPOBSA-N	358.401	-1.130	0	40	FAAB	biogenic,in-vitro
C[C@@]1(O)C[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	35465907	XUWSHXDEJOOIND-RUAOMYQMSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(N)c2c1=O	4772539	KYOWULICTCFHHF-LTHVICQPSA-N	352.307	-3.334	0	40	FAAB	
COC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1	33492107	WOKJFELXLJKULR-AQRJEWBLSA-N	355.343	-1.204	0	40	FAAB	
Cc1cn([C@@H]2C[C@@H](CNC(=O)CCC(=O)O)[C@@H](O)[C@@H]2O)c(O)nc1=O	257280475	OLBARQLAPZBIKS-HIAZDOBYSA-N	355.347	-1.479	0	40	FAAB	
CC(=O)c1cn(CC(=O)NCC(C)(C)N2CCOCC2)c(=O)n(C)c1=O	268354546	MMYAMXDTBOBROW-UHFFFAOYSA-N	366.418	-1.023	0	40	FAAB	
COCCC(=O)N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O	1615119441	IJOFCXNBLNCBKM-MNUQUWEESA-N	366.378	-1.950	0	40	FAAB	
COCCC(=O)N[C@@H]1CO[C@H](Cn2cc(C)c(O)nc2=O)[C@@H](O)[C@H]1O	1615155723	PTTCGAYEYGWMIY-VCDKRKBESA-N	357.363	-2.101	0	40	FAAB	
COCCNC(=O)NC(=O)COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	13132014	ZFBHYHJVFRYTOS-QWRGUYRKSA-N	367.358	-1.047	0	40	FAAB	
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O	34647720	LVNFIOGAAUPIPC-BJGSYIFTSA-N	356.327	-1.243	0	40	FAAB	biogenic,in-vitro
CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CNS(C)(=O)=O	257223358	DWZCOIZUJHZPML-CQSZACIVSA-N	357.436	-1.185	0	40	FAAB	
CS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1	53315984	ZYRWTXAUUDPWSO-UHFFFAOYSA-N	352.372	-1.066	0	40	FAAB	
COCCn1c(N2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C	96306454	VSUJCJZUIAJLDI-UHFFFAOYSA-N	366.422	-1.806	0	40	FAAB	
NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	4417044	JSZJNSUQMVVBLG-DBIOUOCHSA-N	350.349	-3.292	0	40	FAAB	
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1	6905397	WOKJFELXLJKULR-ADVQIIOHSA-N	355.343	-1.204	0	40	FAAB	
NCCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	575420350	BBMLQBNPNWDZRU-VXGBXAGGSA-N	352.409	-1.067	0	40	FAAB	
CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(C(=O)CCS(C)(=O)=O)CC1	2055745856	IIGGRYBTHJJHMO-UHFFFAOYSA-N	371.463	-1.204	0	40	FAAB	
CNC(=O)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	15181606	PMNHIJFDTGVMJG-UHFFFAOYSA-N	352.307	-2.568	0	40	FAAB	
C[C@H](O)C(=O)COC(=O)[C@H](CC(=O)O[C@H](C)C(=O)O)NC(=O)[C@@H](C)O	2060999896	ODGGQUKGCIIRQR-KDXUFGMBSA-N	363.319	-2.249	0	40	FAAB	
COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	12342129	DHSJSCKOXMSVNH-DGADGQDISA-N	355.343	-1.170	0	40	FAAB	
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1	4256765	KIJMKINONVYUTA-SDDRHHMPSA-N	356.423	-1.591	0	40	FAAB	
O=C(OC[C@H](O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1	35457686	DLZMKPZOEYKXHQ-SNPRWZSRSA-N	372.326	-1.887	0	40	FAAB	biogenic,in-vitro
O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1	96124293	MGBZZJDJCXMNIL-UHFFFAOYSA-N	369.345	-1.604	0	40	FAAB	
CCn1cnnc1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	58342772	WCJJULANSOKFRJ-WDEREUQCSA-N	355.420	-1.050	0	40	FAAB	
O=C1NC(=O)C(Cc2cccc(CC3C(=O)NC(=O)NC3=O)c2)C(=O)N1	3844921	NDLHGJMBCMMGLT-UHFFFAOYSA-N	358.310	-1.264	0	40	FAAB	biogenic
CCN1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C(=O)C1=O	32928329	RDVYMZLBOFZXJQ-UHFFFAOYSA-N	365.390	-1.037	0	40	FAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O	242688387	VPAYRDIKCLRDTG-WZYWGQKZSA-N	371.342	-1.284	0	40	FAAB	
Cn1c(=O)c2c(ncn2CCS(=O)(=O)N2CCNC(=O)C2)n(C)c1=O	10237295	HHNASZYRQYVHOR-UHFFFAOYSA-N	370.391	-2.805	0	40	FAAB	
CS(=O)(=O)CCC(=O)N1CC[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1	2055729707	AMSKEDRXWICEOX-VXGBXAGGSA-N	368.477	-1.070	0	40	FAAB	
Cn1c(O)c(C(c2ccccn2)c2c(O)n(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O	38280429	XGXSVACDAWXKGG-UHFFFAOYSA-N	373.325	-1.553	0	40	FAAB	
CN(C)CCCNCC(=O)N1CCN(C(=O)CNCCCN(C)C)CC1	4946097	WMZSUGHRPZSDLS-UHFFFAOYSA-N	370.542	-1.260	0	40	FAAB	
Cn1nc(O)c(=O)nc1SCC1=C(C(=O)O)N2C(=O)[C@H](N)[C@H]2SC1	16027482	YTUNICCSPPTMJY-XUOSJQGZSA-N	371.400	-1.446	0	40	FAAB	biogenic
Nc1c(C(=O)N[C@@H](CC(=O)O)C(=O)O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	39929177	XNKLTOHYNRQCLJ-ZZZDFHIKSA-N	374.306	-3.266	0	40	FAAB	in-vitro
CC(=O)N1CCN(C[C@]2(O)CCN(C(=O)CN3CCOCC3)C2)CC1	257297778	RITKMSDTYIABRX-QGZVFWFLSA-N	354.451	-1.554	0	40	FAAB	
O=C(O)COCC(=O)N1C[C@H](O)[C@@H](n2c(O)nc(=O)c3ccccc32)C1	257335243	YJHAYGDMEQHNDW-RYUDHWBXSA-N	363.326	-1.053	0	40	FAAB	
Cn1[nH]c(=O)c(=O)nc1SCC1=C(C(=O)O)N2C(=O)[C@H](N)[C@@H]2SC1	2090292	YTUNICCSPPTMJY-RRAGMBSWSA-N	371.400	-1.858	0	40	FAAB	biogenic
COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	4347030	OCTAXAHVUYMHBW-UTGUJQJDSA-N	355.343	-1.204	0	40	FAAB	biogenic
CC(C)N(C)CC(=O)N1CCn2c(nc(CNS(C)(=O)=O)cc2=O)C1	1565556008	UBMAQRAUHZVJAR-UHFFFAOYSA-N	371.463	-1.025	0	40	FAAB	
CN1CCN(c2nc3c(=O)[nH]cnc3n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)CC1	12661595	ULNYWSYTZHUVLX-GEEFMHANSA-N	366.378	-2.517	0	40	FAAB	
C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(C)(=O)=O)CC1	14121140	FREGOQQHHGFLIL-QWRGUYRKSA-N	353.466	-1.745	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4018108	RLJFXPQTJCNTCL-AGSIJNCFSA-N	351.363	-1.279	0	40	FAAB	biogenic
CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1	96049888	GQSDILLIBAKSEC-CQSZACIVSA-N	356.404	-1.020	0	40	FAAB	
CC(C)[C@@H](N)C(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586507	JSSUJTJSUFHQKO-UYJHQMFVSA-N	362.467	-1.168	0	40	FAAB	
CCOCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CC(OC)C1)CO2	2332243148	MMBCSOHIKAXKOW-ZDUSSCGKSA-N	362.448	-1.252	0	40	FAAB	
O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4532650	KCLZXOUVOULMDP-MQFWEAQZSA-N	370.358	-2.171	0	40	FAAB	
O=C(NC1CCCCCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	257256877	KNHAPQCMIDETLZ-BMBUUVGOSA-N	374.459	-1.447	0	40	FAAB	
C[C@]1(O)CC[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	223569176	VSKORLRIJDSSSC-ATQGNWGQSA-N	364.347	-3.115	0	40	FAAB	
COC(=O)C[C@@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12	102685885	FIJQHCWDUJPIMZ-RPQMDJCFSA-N	361.303	-1.401	0	40	FAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NS(C)(=O)=O)C[C@H]2CN1CC(C)C	2332242244	VDXCSLRIBKOJPI-IHRRRGAJSA-N	360.480	-1.019	0	40	FAAB	
Cn1cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C(N)=O	23058311	UIBOFXGXTTTWQF-UHFFFAOYSA-N	364.449	-1.174	0	40	FAAB	
O=C(COCCO)NCCCC[C@H](NC(=O)COCCO)C(=O)O	247380867	JETMSGOBDXKGRH-NSHDSACASA-N	350.368	-2.140	0	40	FAAB	
Cn1cnnc1S(=O)(=O)C1CCN(C(=O)Cn2ncccc2=O)CC1	96099647	ALFLQBCSZDLKHZ-UHFFFAOYSA-N	366.403	-1.163	0	40	FAAB	
CC(=O)N1CCC(N[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)CC1	77264977	KOUKBYBJIRNVCS-OAGGEKHMSA-N	370.450	-1.243	0	40	FAAB	biogenic,in-vitro
Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I	17044138	LQQGJDJXUSAEMZ-SKHQTKALSA-N	369.115	-1.958	0	40	FAAB	
CNC(=O)NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1	71195236	XCCKIHPFGOSIAR-UHFFFAOYSA-N	354.348	-1.290	0	40	FAAB	
NC(=O)C1CCN(CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)CC1	257293682	QQRSOEIOHAYIER-KRWDZBQOSA-N	354.451	-1.521	0	40	FAAB	
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1	306142819	XKSKBFPOPKLDMN-JTQLQIEISA-N	351.454	-1.330	0	40	FAAB	
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	33923631	AEGXQXAAFKOKMX-CYFJXOGMSA-N	365.394	-2.228	0	40	FAAB	
NC(=O)C1CCN(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)CC1	257293683	QQRSOEIOHAYIER-QGZVFWFLSA-N	354.451	-1.521	0	40	FAAB	
CSc1nc2c(nnn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5760125	SSFGJCYOSGSJLI-DCPHZCSOSA-N	359.364	-2.781	0	40	FAAB	
COC(=O)c1ccccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	77303545	HIJXKMHXOVKBEK-AOVQSLKQSA-N	356.283	-1.478	0	40	FAAB	in-vitro
COC(=O)[C@@H](C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	96306545	MYHCNGGUPXHGNB-SECBINFHSA-N	351.363	-1.011	0	40	FAAB	
CSc1nc2c(nnn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5760129	SSFGJCYOSGSJLI-LFRLGQHFSA-N	359.364	-2.781	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)/C=C/C(=O)O)[C@@H](O)[C@@H]1O	257319956	VUTIMRJFRYOVIF-JNLXSRSDSA-N	362.346	-1.409	0	40	FAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19331388	AQRKTEPLGLVFHX-QWDOPKJRSA-N	358.435	-2.245	0	40	FAAB	
O=S1(=O)C[C@@H](N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)[C@@H](O)C1	22937506	XEZHKJKLCWAOKY-IWDIQUIJSA-N	354.450	-3.080	0	40	FAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@H](O)[C@H]1O	247661705	SOVSEJILHKLDOS-FTNLVSMZSA-N	367.318	-1.564	0	40	FAAB	
CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CNS(C)(=O)=O	257223357	DWZCOIZUJHZPML-AWEZNQCLSA-N	357.436	-1.185	0	40	FAAB	
COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C	5760552	UYULNUFAZCMNPW-XNEQSKADSA-N	366.168	-1.598	0	40	FAAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	3869965	RQFCJASXJCIDSX-FULWYAMNSA-N	363.223	-2.570	0	40	FAAB	biogenic,in-vitro
CCS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c(N)ncnc21	4707691	POHUCFSWYVMLKP-RRDYINPDSA-N	359.408	-1.904	0	40	FAAB	
O=C1NC(=O)C2(CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)N1	24960802	ANWPGFIGEKLAOD-UHFFFAOYSA-N	356.342	-1.008	0	40	FAAB	
N=C(N)Nc1nc(C[S@@](=O)CCC(=N)NS(N)(=O)=O)cs1	6057215	LAZSSGBZNCVJCB-HXUWFJFHSA-N	353.455	-1.142	0	40	FAAB	in-vitro
Cc1nc2c(c[n+]1C)CN1C(=O)N([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)C=CC1=N2	5567883	MSMDYXCIEJKUMY-XTWPYSKKSA-N	362.366	-1.552	0	40	FAAB	
CS(=O)(=O)NCCNC(=O)NCCNS(=O)(=O)c1ccccc1	61735079	KXHWMPLXKBEJCT-UHFFFAOYSA-N	364.449	-1.187	0	40	FAAB	
O=C(N[C@@H]1CO[C@H](Cn2ccc(O)nc2=O)[C@@H](O)[C@H]1O)c1cccnc1	1615118581	GCZOOOXXGHDCQG-MHDGFBEUSA-N	362.342	-1.737	0	40	FAAB	
C[C@@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	35465903	XUWSHXDEJOOIND-AQYLCXEGSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	8652714	APLBJDOFALUWBA-IRPHGTLLSA-N	353.784	-1.643	0	40	FAAB	
NC1=NC(=O)[C@H]2N=CN([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)[C@@H]2N1	16137458	NXAAPTOGYXDNQU-YPOPKZJDSA-N	365.239	-3.975	0	40	FAAB	
CN1CCN(C(=O)[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)Cc3ncnn3C2)CC1	1565546905	BHNKIFGELRCFQT-NYTXWWLZSA-N	374.445	-1.097	0	40	FAAB	
C[C@@H](N)C(=O)N[C@@]1(C(=O)O)C[C@H](Sc2nc[nH]n2)[C@@H]2[C@@H](C(=O)O)[C@@H]21	1528997589	BBGHHIUQOKQCBW-DITDEHRMSA-N	355.376	-1.097	0	40	FAAB	
C[C@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O	5706596	QAMHALDBICFASN-IINYFYTJSA-N	367.358	-1.021	0	40	FAAB	
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(C)(=O)=O)CC1	14121131	FREGOQQHHGFLIL-GHMZBOCLSA-N	353.466	-1.745	0	40	FAAB	
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@@H]1O[C@H](n1ccc(=O)[nH]c1=O)[C@@H]2OC(C)=O	8780919	BEUXJRKCYAGSPH-SVNGYHJRSA-N	354.271	-1.777	0	40	FAAB	biogenic,in-vitro
Cn1c(CN2CCN(CC(=O)N3CCOCC3)CC2)cc(=O)n(C)c1=O	22357535	DXPDGPUVSYHQHA-UHFFFAOYSA-N	365.434	-1.940	0	40	FAAB	
COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC	247927381	QRWNMJBTANFMHA-CRQFQMBKSA-N	374.342	-1.331	0	40	FAAB	biogenic,in-vitro
COC(=O)Cn1ncnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C	1073540	XZFCGLZEYSZYKB-UHFFFAOYSA-N	365.375	-1.114	0	40	FAAB	biogenic
CN1C(=O)NC(=O)[C@H](C(c2ccncc2)[C@@H]2C(=O)NC(=O)N(C)C2=O)C1=O	16188971	RGWMLAOXGOLWSI-PBINXNQUSA-N	373.325	-1.186	0	40	FAAB	
CC12CN3CC(c4ccccc4)(CN(C1)C3[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19327388	NARJAFSIHPMUAI-SJXSQWCJSA-N	362.426	-1.454	0	40	FAAB	
C[C@]1(O)C[C@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	105687530	XUWSHXDEJOOIND-GKKMFYPPSA-N	364.347	-3.464	0	40	FAAB	biogenic,in-vitro
CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	222352905	MVUGFPZSODNQEX-XHJNMGKDSA-N	370.358	-1.215	0	40	FAAB	
Nc1nc(O)c2c(n1)N([C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@@H](N1CCCCC1)N2	254743645	AUVZLGWMRNNVLR-YGSFWNEXSA-N	368.394	-1.795	0	40	FAAB	
COCCNC(=O)CN1CCN(Cc2oc(CO)cc(=O)c2O)CC1	71279159	CWWXNGZTYVEAJI-UHFFFAOYSA-N	355.391	-1.282	0	40	FAAB	
Nc1nc(O)c2c(n1)N([C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)[C@H](N1CCCCC1)N2	254743642	AUVZLGWMRNNVLR-AXHNKSDFSA-N	368.394	-1.795	0	40	FAAB	
O=c1[nH]cnc2c1nc(N1CCNCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	9209169	BDPVKQAEONBPSN-OJPPFWEXSA-N	352.351	-2.859	0	40	FAAB	
CN1C[C@]2(COCC1=O)CN(C(=O)CCS(C)(=O)=O)C[C@H]2N(C)C	1565550334	ZAPCMXHQORMKDY-IUODEOHRSA-N	361.464	-1.332	0	40	FAAB	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1I	6091164	LQQGJDJXUSAEMZ-MNCSTQPFSA-N	369.115	-1.958	0	40	FAAB	in-vitro
CS(=O)(=O)CCC(=O)N1CCn2c(nc(Cn3cncn3)cc2=O)C1	1565555216	BAMRJIRHWYSGED-UHFFFAOYSA-N	366.403	-1.340	0	40	FAAB	
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O	8624383	VCVHWVRZTSRGFG-QJRXBVQLSA-N	366.436	-1.948	0	40	FAAB	biogenic,in-vitro
Cn1c(=O)c2c(ncn2[C@H]2CN(CC(N)=O)CC[C@]2(C)O)n(C)c1=O	257337623	YTPGBHAGDIAMKK-VFZGTOFNSA-N	350.379	-2.083	0	40	FAAB	
O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3ccccc23)C(=O)N1	100048699	JSBMGPVJAADXIZ-UHFFFAOYSA-N	367.277	-2.799	0	40	FAAB	
Cn1ccnc1[C@]1(CNC(=O)c2ccc(C(N)=O)cn2)NC(=O)NC1=O	1616035228	SWSYOALSRVOWFE-HNNXBMFYSA-N	357.330	-1.621	0	40	FAAB	
Nc1ncnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	8740369	MRRXXEGKMDBWFH-ZLGIUQBVSA-N	352.351	-2.143	0	40	FAAB	
NC(=O)CNC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1	3840031	WMUDKESCUMITLG-JTNHKYCSSA-N	353.400	-1.571	0	40	FAAB	biogenic,in-vitro
CCn1cnnc1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	58342773	WCJJULANSOKFRJ-MNOVXSKESA-N	355.420	-1.050	0	40	FAAB	
COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	901014	SGTCGCCQZOUMJJ-SLZITWOASA-N	354.311	-1.020	0	40	FAAB	biogenic,in-vitro
O=c1[nH]cnc2c1nc(N1CCOCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	12661024	JQVIHFVVMMXNPV-QYVSTXNMSA-N	353.335	-2.432	0	40	FAAB	biogenic
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC(=O)N1	13815126	XNSAINXGIQZQOO-UTUOFQBUSA-N	362.390	-1.808	0	40	FAAB	biogenic
CN1CCN(c2nc3c(N)ncnc3n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	16035856	AEGXQXAAFKOKMX-WQURNTSKSA-N	365.394	-2.228	0	40	FAAB	
O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	585291276	OLBFEPASKUNRJR-UHKMRQEHSA-N	366.462	-1.295	0	40	FAAB